2 – Page 3 – Pu catalyst

2,5-xylenol

Structural formula

Business number	02A2
Molecular formula	C8H10O
Molecular weight	122.16
label	1-Hydroxy-2,5-xylene, 2-hydroxy-p-xylene, p-xylenol, 6-Methyl m-cresol, 1,4-dimethyl-2-hydroxybenzene, 2-Hydroxy-p-xylene, p-Xylenol, 2,5-Dimethylphenol, 6-Methyl-m-cresol, 1,4-Dimethyl-2-hydroxybenzene, disinfectant, phenolic solvents, drug, plasticizer, D

Numbering system

CAS number:95-87-4

MDL number:MFCD00002237

EINECS number:202-461-5

RTECS number:ZE5775000

BRN number:1099260

PubChem number:24893530

Physical property data

1. Properties: white crystal.

2. Boiling point (ºC, 101.3kPa): 211.5

3. Boiling point (ºC, 13.3kPa): 143

4. Boiling point (ºC, 2.67 kPa): 105

5. Melting point (ºC): 74.8

6. Relative density (g/mL, 25/25ºC, solid): 1.189

7. Relative density (g/mL, 80/4ºC): 0.9770

8. Flash point (ºC): 85

9. Kinematic viscosity (m²

sup>/s, 80ºC): 1.61×10^-6

10. Kinematic viscosity (m²/s, 120ºC): 0.825×10 ^-6

11. Kinematic viscosity (m²/s, 160ºC): 0.528×10^-6

12. Heat of evaporation (KJ/mol): 46.97

13. Heat of generation (KJ/mol): 246.85

14. Heat of combustion (KJ/mol) : 4333.51

15. Critical temperature (ºC): 449.9

16. Vapor pressure (kPa, 92ºC): 1.33

17. Solubility (%, 25ºC , water): 0.25

18. Solubility: Hardly soluble in water, miscible with ethanol, chloroform, ether, benzene, etc. Soluble in sodium hydroxide aqueous solution.

19. Refractive index at room temperature (n²⁵): 1.5119⁷⁵

20. Relative density (25℃, 4℃ ): 0.899¹⁶⁰

21. Relative density (20℃, 4℃): 0.9770⁸⁰

22. Crystal phase Phase standard heat of combustion (enthalpy) (kJ·mol^-1): -4330.6

23. Crystal phase standard claims heat (enthalpy) (kJ·mol^-1): -246.6

24. Gas phase standard combustion heat (enthalpy) (kJ·mol^-1): -4415.6

25. Gas phase standard claimed heat (enthalpy) (kJ·mol ^-1): -161.6

26. Gas phase standard entropy (J·mol^-1·K^-1) : 395.87

27. Gas phase standard formation free energy (kJ·mol^-1): -39.5

28. Gas phase standard hot melt (J·mol ^-1·K^-1)：157.09

Toxicological data

1. Acute toxicity: Rat oral LD50: 444mg/kg; Rat LD50: 730mg/kg; kg;

2. Chronic toxicity/carcinogenicity

Mouse skin contact TDLo: 4000mg/kg/20W-I;

3. Vapor to eyes It has an irritating effect on respiratory tract mucosa.

Ecological data

Will not biodegrade. BOD5 (five-day biological oxygen demand): 0 This substance is harmful to the environment. Special attention should be paid to the pollution of air, water environment and water sources.

Water hazard class 3 (German regulations) (self-assessment via list): Extremely hazardous to water.

Do not allow this product to come into contact with groundwater, waterways, or sewage systems, even in small amounts.

Even extremely small amounts of product seeping into the ground can pose a hazard to drinking water.

It is also poisonous to fish and plankton in water bodies.

Do not discharge materials into the surrounding environment without government permission.

Toxic to organic matter in water.

Molecular structure data

1. Molar refractive index: 37.78

2. Molar volume (cm³/mol): 120.4

3. Isotonic specific volume (90.2K ): 297.5

4. Surface tension (dyne/cm): 37.2

5. Dielectric constant:

6. Dipole moment (10^-30C·m,20ºC): 4.77

7. Polarizability: 14.9

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: 9

6. Topological molecule polar surface area 20.2

7. Number of heavy atoms: 9

8. Surface charge: 0

9. Complexity: 90.6

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

1. Avoid contact with strong oxidants. Corrosive and toxic. Can burn when exposed to open fire.

2. Exist in oriental tobacco leaves and smoke.

3. Highly toxic!

Storage method

Store in a cool, ventilated warehouse. Keep away from fire and heat sources. Protect from direct sunlight. The packaging is sealed. They should be stored separately from oxidants and food chemicals, and avoid mixed storage. Equipped with the appropriate variety and quantity of fire equipment. Suitable materials should be available in the storage area to contain spills.

Synthesis method

1. It is produced from 2,5-dimethylaniline through diazotization and hydrolysis.

2. Tobacco: OR, 26.

Purpose

Used in organic synthesis as disinfectants, solvents, pharmaceuticals, plasticizers and wetting agents.

2,5-Dichloroaniline

Structural formula

Business number	029Y
Molecular formula	C6H5Cl2N
Molecular weight	162
label	Benzene red purple GG salt, Solid Scarlet GG Salt, Fast Scarlet GG Salt, Aromatic nitrogen-containing compounds and their derivatives

Numbering system

CAS number:95-82-9

MDL number:MFCD00007667

EINECS number:202-455-2

RTECS number:BX2610000

BRN number:1447438

PubChem number:24846562

Physical property data

1. Properties: light brown to amber needle-like crystals. ^[1]

2. Melting point (℃): 49~51^[2]

3. Boiling point (℃) :251^[3]

4. Relative density (water = 1): 1.54^[4]

5. Relative Vapor density (air = 1): 5.6^[5]

6. Octanol/water partition coefficient: 2.75^[6]

7. Solubility: Slightly soluble in water, soluble in ethanol, ether, benzene, carbon disulfide, and dilute hydrochloric acid. ^[7]

Toxicological data

1. Acute toxicity:

Rat oral LD50: 1600mg/kg; rat intraperitoneal LD50: 400mg/kg; mouse oral LD50: 1600mg/kg; mouse intraperitoneal LD50 : 400mg/kg; mouse intravenous LD50: 56mg/kg; rabbit oral LD50: 3750mg/kg; guinea pig oral LD50: 3750mg/kg;

2. Other multiple dose toxicity: rat oral TDLo: 27300mg/kg/13W-I;

3. Acute toxicity^[8] LD50: 1600mg/kg (rat oral)

4. Irritation No information available

Ecological data

1. Ecotoxicity No data yet

2. Biodegradability^[9] Improved OECD screening test , the degradation is less than 25% in 28 days; in the modified AFNOR test, the degradation is less than 7% in 28 days.

3. Non-biodegradability^[10] In the air, when the hydroxyl radical concentration is 5.00×10⁵ pcs/cm³, the degradation half-life is 17h (theoretical).

4. Bioconcentration^[11] BCF: 35 (theoretical)

Molecular structure data

1. Molar refractive index: 40.27

2. Molar volume (cm³/mol): 115.6

3. Isotonic specific volume (90.2K ): 304.8

4. Surface tension (dyne/cm): 48.3

5. Polarizability (10-24cm3): 15.96

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: none

6. Topological molecule polar surface area 26

7. Number of heavy atoms: 9

8. Surface charge: 0

9. Complexity: 97.1

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Uncertain chemical bond configurationNumber of centers: 0

15. Number of covalent bond units: 1

Properties and stability

1. Stability^[12] Stable

2. Incompatible substances^[13] Acids, acid chlorides, acid anhydrides, strong oxidants

3. Conditions to avoid contact^[14] Heating

4. Polymerization hazard^[15] No polymerization

5. Decomposition products^[16] Hydrogen chloride

Storage method

Storage Precautions^[17] Store in a cool, ventilated warehouse. Keep away from fire and heat sources. The packaging is sealed. They should be stored separately from oxidants, acids, and food chemicals, and avoid mixed storage. Equipped with the appropriate variety and quantity of fire equipment. Suitable materials should be available in the storage area to contain spills.

Synthesis method

1. The iron powder reduction method uses 2,5-dichloronitrobenzene as raw material, reduces it with iron powder in dilute acid medium, and then neutralizes, separates and refines the finished product.

2. Hydrogenation reduction method 2,5-Dichloronitrobenzene is used as the raw material, ethanol is used as the medium and catalyst, and the hydrogenation reaction is carried out under heating and pressure. The reaction product is separated and refined to obtain the finished product.

3. Its preparation method is: Add 2,5-dichloronitrobenzene, ethanol and platinum catalyst to the autoclave, introduce hydrogen to 3-4MPa at 85-90°C, then stop flowing the hydrogen and keep it warm. The end point will be reached when the pressure drops stably, and the material Pour it out, remove the solution and crystallize to obtain the product.

Purpose

1. Insoluble azo dyes and ice dyes. Mainly used for cotton dyeing. Coupled with chromophen AS and chromophen AS-D, it dyes bright red; coupled with chromophen AS-G, it dyes light yellow. Strong coupling force and fast coupling speed. It is also used for dyeing viscose fiber, silk and nylon for cotton printing. In addition, it is used to synthesize 2,5-dichlorophenylsuccinic acid.

2. Used as dye intermediate and used in organic synthesis. ^[18]

2,4-Diaminotoluene

Structural formula

Business number	029W
Molecular formula	C7H10N2
Molecular weight	122.17
label	4-Methyl-1,3-phenylenediamine, 4-methyl-m-phenylenediamine, Toluene-2,4-diamine, m-Toluenediamine, 3-amino-4-methylaniline, 4-methyl-1,3-phenylenediamine, 4-methyl-phenylenediamine, Hardener, intermediates, Aromatic compounds and their derivatives

Numbering system

CAS number:95-80-7

MDL number:MFCD00007804

EINECS number:202-453-1

RTECS number:XS9625000

BRN number:2205839

PubChem number:24846558

Physical property data

1.Characteristics: colorless needle-shaped or rhombus crystals. ^[1]

2. Melting point (℃): 97~99^[2]

3. Boiling point (℃) :292^[3]

4. Saturated vapor pressure (kPa): 0.13 (106.5℃)^[4]

5. Critical pressure (MPa): 4.38^[5]

6. Octanol/water partition coefficient: 0.337^[6]

7. Ignition temperature (℃): 477^[7]

8. Solubility: soluble in water, easily soluble in ethanol, ether, and benzene. ^[8]

Toxicological data

1. Acute toxicity^[9] LD50: 590mg/kg (rat oral, 24h); 650mg/kg (rabbit dermal, 24h)

2. Irritation ^[10]

Rabbit transdermal: 500mg (24h), mild irritation.

Rabbit eye: 100mg (24h), severe irritation.

3. Mutagenicity ^[11] Microbial mutagenicity: Salmonella typhimurium 100μg/dish. DNA damage: human fibroblasts 100 μmol/L. Unprogrammed DNA synthesis: human liver 100 μmol/L. Micronucleus test: rats take 300mg/kg orally.

4. Carcinogenicity ^[12] IARC Carcinogenicity Comment: G2B, suspected human carcinogen.

Ecological data

1. Ecotoxicity^[13]

LC50: 1420mg/L (96h) (fathead minnow)

EC50: 1290~1440mg/L (96h) (fathead minnow)

2. Biodegradability^[14]

Aerobic biodegradation (h): 672~4320

Anaerobic biodegradation (h): 2688~17280

3. Non-biodegradability^[15]

Photooxidation half-life in water (h): 31~1740

Photooxidation half-life in air (h): 0.27~2.7

Molecular structure data

1. Molar refractive index: 39.55

2. Molar volume (cm³/mol): 110.2

3. Isotonic specific volume (90.2K ): 296.5

4. Surface tension (dyne/cm): 52.3

5.�Electrical constant:

6. Dipole moment (10^-24cm³):

7. Polarizability :15.67

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: none

6. Topological molecule polar surface area 52

7. Number of heavy atoms: 9

8. Surface charge: 0

9. Complexity: 92.9

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

1. Toxic. For its toxicity and protection methods, please refer to o-phenylenediamine.

2. Stability^[16] Stable

3. Incompatible substances^[17] Strong oxidants, acids, acid chlorides, acid anhydrides, chloroform

4. Conditions to avoid contact ^[18] Heating

5. Polymerization hazard^[19] No polymerization

6. Decomposition products^{[20 ]} Ammonia

Storage method

1. Storage precautions^[21] Store in a cool, ventilated warehouse. Keep away from fire and heat sources. The packaging is sealed. They should be stored separately from oxidants, acids, and food chemicals, and avoid mixed storage. Equipped with the appropriate variety and quantity of fire equipment. Suitable materials should be available in the storage area to contain spills.

2. Packed in iron drums, 50kg per drum. Keep away from moisture and sun when storing. To prevent oxidation, add an appropriate amount of reducing agent. Store and transport according to regulations on toxic and dangerous goods.

Synthesis method

2,4-dinitrotoluene is obtained by nitration of p-nitrotoluene with mixed acid, and then reduced with iron powder to obtain the crude product, which is then concentrated and distilled to obtain the finished product. The production process is as follows: (1) Nitration Melted p-nitrotoluene (100%, 643.9kg ) carefully into the nitrification kettle (94.7kg of waste acid is placed in the kettle in advance, and the sulfuric acid content in the waste acid is about 77%. There is no waste acid in the first nitrification, and it can be replaced by sulfuric acid of considerable concentration), stir and cool down the temperature in the kettle to (55±2)℃ and then inject 316.2kg of mixed acid into a thin stream (mixed acid composition: 31.75% nitric acid, 64.85% sulfuric acid, 3.4% water. Dehydration value = 5). In the first stage, half of the mixed acid is added, and the feeding temperature is 52-56°C; in the second stage, half of the mixed acid is added, and the temperature gradually increases from 54°C to 70°C. After the mixed acid is added, the temperature is controlled at (70±2)°C. The time for adding mixed acid depends on the reaction temperature, usually about 6-7 hours. After the mixed acid is added, the temperature is raised to 75°C, kept warm and stirred for 2.25 hours, and the end point is measured. The freezing point reaches above 67°C as qualified. While stirring, carefully and slowly add 70L of cold water for dilution. Control the temperature at 75-77°C. Stir for 15 minutes after adding the water. Stop stirring and let stand for 0.5h, then insert the plastic tube to the bottom of the kettle and cool to room temperature. During the cooling process, please pay attention to condensation. When it is about to condense into a solid, be careful to continuously rotate the plastic tube and avoid muddying the liquid. Wait until all reactants solidify. Pull out the plastic tube, remove the spent acid, and heat to remelt the reactants. The temperature should not exceed 80°C. After melting, stop heating, stir for 3-5 minutes, let stand for 30 minutes, cool, and insert a plastic tube as above. After complete condensation, remove the plastic tube, drain out the waste acid, and reheat to melt. The temperature should not exceed 80°C. The reactant was a yellow oil and was kept at 75°C. Pour 1300L of water into the refining kettle, raise the temperature to 68-70°C, inject the yellow oil in a thin stream under stirring, add liquid caustic soda at any time for neutralization, and strictly control PH=5-6. Keep the temperature of the reactants at 67-68°C, spray cold water to cool down, and yellow needle-like crystals will appear. Continue to stir and cool to about 35°C, filter the material, and wash the filter cake with cold water to obtain yellow crystals of 2. 4-Dinitrotoluene. (2) Reduction Add 1300L of water to the reduction kettle, and add 500kg of iron powder under stirring. After heating to 70°C, add 40kg of 30% hydrochloric acid, raise the temperature to 90-95°C, take a sample and drop it on the filter paper. If black appears at the intersection of the wetting ring and 5% sulfide alkali solution, you can start adding dinitrogen in batches. Toluene (100% 364kg) makes the reaction proceed vigorously and maintains a boiling state of 100-102°C. When adding materials, check at any time. If a sample is dropped on the filter paper, there will be no yellow residue. The intersection with 5% sulfide alkali solution will appear black, and the intersection with litmus paper should appear red. After adding 75% of the total amount of dinitrotoluene, test the end point. Then add 100kg of iron powder with the same material in a cross-wise manner. The total feeding time is 1-1.5h, and always keep boiling. After adding the material, stir for another 0.5h. The end point is when the reaction solution wets the filter paper and does not show yellow. After the reduction end point is reached, stop heating and cool down to 85-90°C. Carefully add lime slurry made of 30kg of lime and water to make the pH value 8-9. Then add 5kg of 50% alkali sulfide and continue stirring for 15 minutes. The intersection of the wet circle on the filter paper and the 5% sulfide alkali solution without black traces is the end point of neutralization. After neutralization is completed, add 2kg of sodium sulfite, stir for 15 minutes, and let stand for 0.5h to allow the iron mud to fully precipitate. (3) Filtration, concentration and iron sludge sedimentationAfter that, suck the supernatant liquid into the storage tank, add 1000-1200L water to the iron sludge remaining in the reduction kettle, stir and raise the temperature to 95°C and let it stand for 0.5h, then suck the supernatant washing liquid into the storage tank, repeat the above method Wash three times, and the washing liquid is combined into the reduction mother liquor for suction filtration; after suction filtration, the material liquid is evaporated and concentrated under a vacuum of 80kg, which takes about 6 hours to complete. (4) Distillation under reduced pressure: Suction the concentrated liquid into the distillation kettle, and perform dehydration under stirring at a vacuum degree of 74.7-90.7kpa, an interlayer oil temperature of 180-210°C, and a top temperature of 50-60°C. When the vacuum degree rises to 94.7-97.3kpa, the top temperature is 190-200°C, and the interlayer oil temperature is 280-290°C for distillation. As the material in the distillation kettle decreases, the vacuum gradually rises, and the top temperature gradually drops to 170-180°C. ℃, the oil temperature increases to about 300-320 ℃, at which point the distillation can be considered to have reached the end. Each batch of finished products is about 500kg. Raw material consumption quota: p-nitrotoluene 1600kg/t, sulfuric acid (98%) 1616kg/t, nitric acid (98%) 760kg/t, iron powder (90%) 2700kg/t.

Purpose

1. Used as a curing agent for epoxy resin, the reference dosage is 8 parts by mass. The curing conditions are 100℃/2h+150℃/2h, and the thermal change temperature of the cured product is 150-160℃. It is also used as an intermediate for organic synthesis and dyes, such as the manufacture of fur black DB, sulfurized yellow brown 5G, sulfurized red brown BIR and other dyes. Reaction with phosgene can produce 2,4-toluene diisocyanate.

2. It is one of the raw materials for organic synthesis and can be used to prepare toluene diisocyanate. It is also used as a dye intermediate and for hair dyeing. ^[22]

2,5-Dimethylaniline

Structural formula

Business number	029U
Molecular formula	C8H11N
Molecular weight	121.18
label	1-amino-2,5-xylene, p-dimethylaniline, 2,5-Dimethylaniline, 1-Amino-2,5-dimethylbenzene, 2,5-Dimethylbenzenamine

Numbering system

CAS number:95-78-3

MDL number:MFCD00007743

EINECS number:202-451-0

RTECS number:ZE9100000

BRN number:2205178

PubChem number:24846569

Physical property data

1. Properties: Colorless or light yellow oily liquid, which forms crystals at low temperatures. ^[1]

2. Melting point (℃): 15.5^[2]

3. Boiling point (℃): 214 ~217^[3]

4. Relative density (water = 1): 0.98^[4]

5. Relative Vapor density (air=1): 4.18^[5]

6. Saturated vapor pressure (kPa): 1.33 (97℃)^[6]

7. Octanol/water partition coefficient: 1.83~2.21^[7]

8. Flash point (℃): 93.89^{[8 ]}

9. Explosion upper limit (%): No information yet

10. Explosion lower limit (%): 1.5^[9]

11. Solubility: insoluble in water, slightly soluble in alcohol, soluble in ether and chloroform. ^[10]

Toxicological data

1. Acute toxicity: rat oral LD50: 1297mg/kg; mouse oral LD50: 841mg/kg;

2. Other multiple dose toxicity: rat oral TDLo: 13300mg/ kg/4W-I;

3. Mutagenicity

Mutation of microorganism Salmonella typhimurium: 10μmol/plate;

DNA synthesis in rat liver: 10μmol /L;

Oral DNA inhibition in mice: 200 mg/kg;

4. Acute toxicity ^[11] LD50: 1120mg/kg (rat oral)

5. Irritation No information available

Ecological data

1. Ecotoxicity^[12] IC50: 5mg/L (72h) (algae)

2. Biodegradability No data yet

3. Non-biodegradability^[13] In the air, when the hydroxyl radical concentration is 5.00×105 pieces/cm³, the degradation half-life is 2h (theoretical).

4. Other harmful effects ^[14] This substance is harmful to the environment, and special attention should be paid to the pollution of water bodies.

Molecular structure data

1. Molar refractive index: 40.20

2. Molar volume (cm³/mol): 119.9

3. Isotonic specific volume (90.2K ): 306.6

4. Surface tension (dyne/cm): 42.7

5. Polarizability (10-24cm3): 15.94

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds: 0

5.Number of tautomers: None

6. Topological molecule polar surface area 26

7. Number of heavy atoms: 9

8. Surface charge: 0

9. Complexity: 90.6

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determined number of chemical bond stereocenters: 0

14. Uncertain number of chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

1. The color gradually becomes darker in light and air. Can evaporate with steam.

2. Stability^[15] Stable

3. Incompatible substances^[16] Acids, acid chlorides, acid anhydrides, strong oxidants, chloroform, halogens

4. Conditions to avoid contact ^[17] Heating

5. Polymerization hazard^[18] No polymerization

Storage method

Storage Precautions^[19] Store in a cool, ventilated warehouse. Keep away from fire and heat sources. Keep container tightly sealed. They should be stored separately from oxidants, acids, halogens, and food chemicals, and avoid mixed storage. Equipped with the appropriate variety and quantity of fire equipment. The storage area should be equipped with emergency release equipment and suitable containment materials.

Synthesis method

It is produced by nitration and reduction of p-xylene.

Purpose

1. Used in pharmaceutical and dye industries. ^[20]

2,4-Dichlorotoluene

Structural formula

Business number	029P
Molecular formula	C7H6Cl2
Molecular weight	161
label	2,4-Dichloro-1-methylbenzene, 2,4-Dichlorotoluene (dichlorotoluene), 2,4-Dichloro-1-toluene, 2,4-Dichloro-1-methylbenzene, 2,4-Dichloromethylbenzene, Aromatic halogen derivatives

Numbering system

CAS number:95-73-8

MDL number:MFCD00000583

EINECS number:202-445-8

RTECS number:XT0730000

BRN number:1931691

PubChem number:24848696

Physical property data

1. Properties: colorless and transparent liquid with pungent odor. ^[1]

2. Melting point (℃): -13.5^[2]

3. Boiling point (℃): 200^[3]

4. Relative density (water = 1): 1.25^[4]

5. Critical pressure (MPa): 3.59^[5]

6. Octanol/water partition coefficient: 4.24^[6]

7 .Flash point (℃): 79.44^[7]

8. Ignition temperature (℃): >500^[8]

9. Explosion upper limit (%): 4.5^[9]

10. Explosion lower limit (%): 1.9^[10]

11. Solubility: Insoluble in water, miscible in ethanol, ether and benzene. ^[11]

Toxicological data

1. Acute toxicity: rat oral LD50: 3249mg/kg; mouse oral LD50: 2400mg/kg; guinea pig oral LD50: 5mg/kg;

2. Other multiple dose toxicity : Rat oral TDLo: 6440mg/kg/2W-I; Rat oral TDLo: 28980mg/kg/9W-I;

3. Acute toxicity^{[ 12]} LD50: 2400mg/kg (orally in rats); 2900mg/kg (orally in mice)

4. Irritation No information yet

Ecological data

1. Ecotoxicity^[13] LC50: 4.6mg/L (7d) (fish)

2. Biodegradability No data yet

3. Non-biodegradability^[14] In the air, when the concentration of hydroxyl radicals is 5.00×10⁵/cm³, the degradation half-life is 12d (theoretical).

4. Bioconcentration^[15] BCF: 1000 (theoretical)

Molecular structure data

1. Molar refractive index: 40.86

2. Molar volume (cm³/mol): 129.6

3. Isotonic specific volume (90.2K ): 316.6

4. Surface tension (dyne/cm): 35.6

5. Polarizability: 16.20

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 0

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: None

6. Topological molecular polarity.��Area 0

7. Number of heavy atoms: 9

8. Surface charge: 0

9. Complexity: 92.9

10. Number of isotope atoms: 0

11. Number of determined atomic stereocenters: 0

12. Number of uncertain atomic stereocenters: 0

13. Determined number of stereocenters of chemical bonds: 0

14. Uncertain number of stereocenters of chemical bonds: 0

15. Number of covalent bond units: 1

Properties and stability

1. Stability^[16] Stable

2. Incompatible substances^[17] Strong oxidizing agent

3. Conditions to avoid contact^[18] Heating

4. Polymerization Hazards^[19] No polymerization

5. Decomposition products^[20] Hydrogen chloride

Storage method

1. Storage precautions^[21] Store in a cool, ventilated warehouse. Keep away from fire and heat sources. Keep container tightly sealed. They should be stored separately from oxidants and food chemicals, and avoid mixed storage. Equipped with the appropriate variety and quantity of fire equipment. The storage area should be equipped with emergency release equipment and suitable containment materials.

2. If this product is exposed to fire, it should be stored in a cool and ventilated place, away from fire and heat sources, and stored separately from oxidants, food, feed, and seeds. Pay attention to keeping the packaging intact. Store and transport according to regulations for flammable materials.

Synthesis method

Production method: Its preparation methods include the following.
① Para-chlorotoluene method
Put para-chlorotoluene and catalyst ZrCl₄ into the reactor, pass chlorine gas to carry out chlorination reaction, control the amount of chlorine gas until the reaction is completed, and stop reaction, the obtained reactant contains 85.1% of 2,4-dichlorotoluene. If FeCl₃ is used as the catalyst to perform the chlorination reaction at 10-15°C until the relative density of the solution is 1.025, the product will contain 2,4-dichlorotoluene and 3,4-dichlorotoluene, the mass ratio of the two components is 100:30. After chlorination is completed, wash with water until neutral, and treat it with 10% NaOH solution at 100-110°C to remove other impurities. The treated chloride is distilled and separated in a high-efficiency distillation tower (2,4-dichloro Toluene b.p.200℃, 3,4-dichlorotoluene b.p.207℃). The yields of 2,4-dichlorotoluene and 3,4-dichlorotoluene were 64.4% and 19.8% respectively.

②O-chlorotoluene method
O- Chlorotoluene is chlorinated using sulfuryl chloride as the chlorinating agent at 142-196°C. The products include 2,4-dichlorotoluene and 2,3-dichlorotoluene, as well as unreacted raw materials. Its composition They are 55%, 6% and 39% respectively. After distillation (2,4-dichlorotoluene b.p. 200℃, 2,3-dichlorotoluene b.p. 207~208℃, o-chlorotoluene b.p. 157~159℃), 2,4-dichlorotoluene is separated.
③O-nitrotoluene method
O-nitrotoluene is chlorinated in the presence of FeCl₃ catalyst at 35~40℃. When the relative density of the reactants reaches 1.320(15 ℃), wash the material until neutral. The reactants include 15% of raw materials, 49% of 2-chloro-6-nitrotoluene, 21% of 4-chloro-2-nitrotoluene, and 15% of polychlorides. After distillation and crystallization, 2-chloro-6-nitrotoluene and 4-chloro-2-nitrotoluene were obtained, with yields of 50% and more than 30% respectively. 4-chloro-2-nitrotoluene was added Hydrogen reduction reaction and steam distillation yield 4-chloro-2-aminotoluene, which is then diazotized and CH₂Cl₂ is added for Sandmeyer reaction to yield 2,4 -Dichlorotoluene. This method is used to produce 4-chloro-2-nitrotoluene, a by-product of 2-chloro-6-nitrotoluene (used as an intermediate for the herbicide quinclorac).
④2,4-Diaminotoluene method
2,4-Diaminotoluene is diazotized in the presence of NaNO₂ and hydrochloric acid, and then in Cu_{2 Sandmeyer reaction is carried out in the presence of}Cl₂ to obtain 2,4-dichlorotoluene.
⑤3-Chloro-4-methylaniline method
Add 3-chloro-4-methylaniline and hydrochloric acid into the reaction kettle, and add NaNO₂The aqueous solution is added dropwise within 2 to 3 hours to carry out the diazotization reaction, and then the diazotization solution is added dropwise to the diazotization solution containing Cu₂Cl₂ at 2 to 5°C. The hydrochloric acid solution is subjected to Sandmeyer reaction to obtain 2,4-dichlorotoluene.

Among the above methods, p-chlorotoluene is used The chlorides produced as raw materials with o-chlorotoluene contain many impurities and have similar boiling points. Only by using a high-efficiency distillation tower to obtain more than 98% of 2,4-dichlorotoluene can we obtain 2,4-dichlorotoluene. These two methods are difficult to operate and require high equipment investment costs. The 2,4-diaminotoluene method is not suitable for industrialization, but the basic principles of preparing 2,4-dichlorotoluene by the o-nitrotoluene method and the 3-chloro-4-methylaniline method are the same, both of which require diazotization and Sandmeyer Reactive, there is a disadvantage of more waste water. The o-nitrotoluene method co-produces 2-chloro-6-nitrotoluene, which is further reduced to obtain 2-chloro-6-aminotoluene, which is an important intermediate for the production of the herbicide quinclorac.

Purpose

1. Pesticide intermediates, used to manufacture 2,4-dichlorobenzyl chloride and 2,4-dichlorobenzoyl chloride. It is used in the pharmaceutical industry to manufacture the antimalarial drug Adipine.

2. Used as a solvent for pharmaceuticals and organic synthesis. ^[22]

2,4-Dimethylaniline

Structural formula

Business number	029K
Molecular formula	C8H11N
Molecular weight	121.18
label	m-dimethylaniline, 2,4-Dimethyl-Benzenemine, 2,4-Dimethylaniline, m-Xylidine

Numbering system

CAS number:95-68-1

MDL number:MFCD00007738

EINECS number:202-440-0

RTECS number:ZE8925000

BRN number:636243

PubChem number:24854443

Physical property data

1. Properties: colorless oily liquid ^[1]

2. Melting point (℃): -14.3^[2]

3. Boiling point (℃): 214^[3]

4. Relative density (water=1): 0.97^[4]

5. Relative vapor density (air=1): 4.18^[5]

6. Saturated vapor pressure (kPa ): 0.05 (38℃)^[6]

7. Octanol/water partition coefficient: 1.68^[7]

8. Flash point (℃): 90.56^[8]

9. Ignition temperature (℃): 460^[9]

10. Explosion upper limit (%): 7.0^[10]

11. Explosion lower limit (%): 1.1^[11]

12. Solubility: Slightly soluble in water, soluble in ethanol, ether, benzene and other organic solvents. ^[12]

Toxicological data

1. Acute toxicity:

Oral LD50 in rats: 467mg/kg; Oral LD50 in mice: 250mg/kg; Inhalation LC50 in mice: 149ppm/7H;

2. Other multiple dose toxicity: rat oral TDLo: 1170mg/kg/10D-C; rat oral TDLo: 13300mg/kg/4W-I;

3. Mutagenicity

Mutation of microbial Salmonella typhimurium: 1μmol/plate;

DNA synthesis in rat liver: 1μmol/L;

Transperitoneal DNA damage in mice: 200mg /kg;

Oral DNA inhibition in mice: 200mg/kg;

4. Acute toxicity^[13]

LD50: 467mg/kg (rat oral)

LC50: 149ppm (mouse inhalation, 7h)

5. Irritation No data yet

6. Subacute and chronic toxicity ^[14] Rat intragastric doses are 25, 50, 100 and 250mg /kg for 7 consecutive days, liver weight increased. The dose is 400mg/kg, 7 days, and the liver weight is seriously damaged.

Ecological data

1. Ecotoxicity No data available

2. Biodegradability No data available

3 .Non-biodegradability^[15] In air, when the concentration of hydroxyl radicals is 5.00×10⁵/cm³ When, the degradation half-life is 2h (theoretical).

4. Other harmful effects ^[16] This substance is harmful to the environment, and special attention should be paid to the pollution of water bodies.

Molecular structure data

1. Molar refractive index: 40.13

2. Molar volume (cm³/mol): 124.2

3. Isotonic specific volume (90.2K ): 308.3

4. Surface tension (dyne/cm): 37.9

5. Polarizability (10-24cm3): 15.91

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: none

6. Topological molecule polar surface area 26

7. Number of heavy atoms: 9

8. Surface charge: 0

9. Complexity: 90.6

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

1. Stability^[17] Stable

2. Incompatible substances^[18] Acids, acid chlorides, acid anhydrides, strong oxidants, chloroform, halogens

3. Conditions to avoid contact^[19] Heating

4. Hazards of aggregation^[20] No aggregation

Storage method

Storage Precautions^[21] Store in a cool, ventilated warehouse. Keep away from fire and heat sources. Keep container tightly sealed. They should be stored separately from oxidants, acids, halogens, and food chemicals, and avoid mixed storage. Equipped with the appropriate variety and quantity of fire equipment. The storage area should be equipped with emergency release equipment and suitable containment materials.

Synthesis method

1. Prepared from m-xylene through nitration and reduction.

Purpose

1. Used as analytical reagents to produce dyes. ^[22]

2′,4′-dimethyl-2-hydroxy-3-naphthol

Structural formula

Business number	0255
Molecular formula	C19H17NO2
Molecular weight	291.34
label	Naphthol AS-MX, Naphthol AS-MX, Azoic Coupling Component 29, Naphthol AS-MX, 3-Hydroxy-2-naphthoic Acid, 2,4-Dimethylanilide

Numbering system

CAS number:92-75-1

MDL number:MFCD00021633

EINECS number:202-186-0

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

1. Character: Crystal.

2. Density (g/mL,25/4℃)： Undetermined

3. Relative vapor density (g/mL,AIR=1): Undetermined

4. Melting point (ºC): Undetermined

5. Boiling point (ºC,Normal pressure): Undetermined

6. Boiling point (ºC,5.2kPa): Undetermined

7. Refractive index: Undetermined

8. Flash Point (ºC): Undetermined

9. Specific optical rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (kPa,25ºC): Undetermined

12. Saturated vapor pressure (kPa,60ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Oil and water (octanol/Log value of partition coefficient for water: undetermined

17. Explosion limit (%,V/V): Undetermined

18. Lower explosion limit (%,V/V): Undetermined

19. Solubility: Undetermined

Toxicological data

None yet

Ecological data

None yet

Molecular structure data

1. Molar refractive index: 90.20

2. Molar volume (m³/mol）：233.4

3. isotonic specific volume (90.2K)：641.0

4. Surface Tension (dyne/cm):56.8

5. Polarizability（10^-24cm³): 35.75

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 4.9

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: 9

6. Topological molecule polar surface area 49.3

7. Number of heavy atoms: 22

8. Surface charge: 0

9. Complexity: 397

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None yet

Storage method

None yet

Synthesis method

Should be sealed and stored in a cool and dry place

Purpose

Substrate for the determination of esterase by enzyme systems in histochemistry. SPAN>

1,2,4-Trimethylbenzene

Structural formula

Business number	029F
Molecular formula	C9H12
Molecular weight	120.19
label	pseudoanisolein, Pseudocumol, Pseudocumene, Asymmetrical trimethylbenzene, For the synthesis of spices and dyes, gas liquid chromatography reference materials, Hydrocarbon solvent

Numbering system

CAS number:95-63-6

MDL number:MFCD00008527

EINECS number:202-436-9

RTECS number:DC3325000

BRN number:1903005

PubChem number:24900445

Physical property data

1. Properties: colorless liquid with aromatic smell. ^[1]

2. Melting point (ºC): -43.8^[2]

3. Boiling point (ºC): 168.9^[3]

4. Relative density (water = 1): 0.88^[4]

5. Relative vapor Density (air=1): 4.1^[5]

6. Saturated vapor pressure (kPa): 1.33 (51.6ºC)^[6]

7. Heat of combustion (kJ/mol): -5190.3^[7]

8. Critical temperature (ºC): 376.13^[8]

9. Critical pressure (MPa): 3.23^[9]

10. Octanol/water partition coefficient: 3.8^[10]

11. Flash point (ºC): 44 (CC) ^[11]

12. Ignition temperature (ºC) ): 500^[12]

13. Explosion upper limit (%): 6.4^[13]

14. Explosion lower limit (%): 0.9^[14]

15. Solubility: insoluble in water, miscible in acetone, petroleum ether, soluble in ethanol, ether, benzene and other organic substances Solvent. ^[15]

16. Viscosity (mPa·s, 20ºC): 1.01

17. Specific heat capacity (KJ/(kg·K)): 1.7734

18. Thermal conductivity (W/(m·K)): 0.1344

19. Eccentricity factor: 0.379

20. Solubility parameter (J ·cm^-3)^0.5: 17.945

21. van der Waals area (cm²·mol^-1): 1.026×10¹⁰

22. van der Waals volume (cm³·mol^-1): 81.810

23. Gas phase standard combustion heat (enthalpy) (kJ·mol^-1): -5242.72

24. Gas phase standard Claimed heat (enthalpy) (kJ·mol^-1): -13.85

25. Gas phase standard entropy (J·mol^-1·K^-1): 395.31

26. Gas phase standard free energy of formation (kJ·mol^-1): 117.5

27. Gas phase standard hot melt (J·mol^-1·K^-1): 149.71

28. Liquid phase standard combustion heat (enthalpy) (kJ ·mol^-1): -5194.77

29. Liquid phase standard claims heat (enthalpy) (kJ·mol^-1): -61.80

30. Liquid phase standard entropy (J·mol^-1·K^-1): 283.38

31. Liquid phase Standard free energy of formation (kJ·mol^-1): 105.96

32. Liquid phase standard hot melt (J·mol^-1·K^-1)：212.1

Toxicological data

1. Acute toxicity^[16] LC50: 18000mg/m³ (rat inhalation, 4h)

2. Irritation No data available

3. Subacute and chronic toxicity^[17] Rabbits were injected subcutaneously with 2~3g/(kg·d), which caused local exudation and necrosis; after 3 weeks, there were cytopenias and temporary leukopenia or increase.

Ecological data

1. Ecotoxicity^[18] LC50: 7.72mg/L (96h) (fathead minnow, dynamic) 18mg/L (48h) (medaka)

2. Biodegradability^[19]

Aerobic biodegradation (h): 168~672

Anaerobic biodegradation (h): 672~2688

3. Non-biodegradability^[20]

Photooxidation half-life in water (h): 1056~43000

Photooxidation half-life in air (h): 1.6~16

4. Bioaccumulation ^[21] BCF: 33~275 (carp, contact concentration 0.2ppm, contact time 8 weeks); 31~207 (carp, contact concentration 0.02ppm, contact time 8 weeks)

Molecular structure data

1. Molar refractive index: 40.72

2. Molar volume (cm³/mol): 138.2

3. Isotonic specific volume (90.2K ): 320.2

4. Surface tension (dyne/cm): 28.7

5. Polarizability (10-24cm3): 16.14

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 3

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 0

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: none

6. Topological molecule polar surface area 0

7. Number of heavy atoms: 9

8. Surface charge: 0

9. Complexity: 86

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

1. Stability^[22] Stable

2. Incompatible substances^[23] Strong oxidants, acids, halogens, etc.

3. Polymerization hazard^[24] No polymerization

Storage method

Storage Precautions^[25] Store in a cool, ventilated warehouse. The storage temperature should not exceed 37°C and should be kept away from fire and heat sources. Keep container tightly sealed. should be kept away from oxidizer, do not store together. Use explosion-proof lighting and ventilation facilities. It is prohibited to use mechanical equipment and tools that are prone to sparks. The storage area should be equipped with emergency release equipment and suitable containment materials.

Synthesis method

C9-C10 aromatics obtained from catalytic reforming or naphtha cracking all contain mixed trimethylbenzenes, such as 1,2,4-trimethylbenzene. Taking reformed aromatics as an example, the 1,2,4-trimethylbenzene content is as high as more than 40%. Products with a purity of more than 99% can be obtained by distillation. For example, two float valve towers (200 layers in total) are used to separate 1,2,4-trimethylbenzene from reformed aromatics, with a purity of 95-97% and a yield of 58- 78%.

Purpose

Used in organic synthesis and pharmaceutical industry, and also used as analytical reagents. ^[26]

2,5-Dimethylbenzothiazole

Structural formula

Physical competition number	028W
Molecular formula	C9H9NS
Molecular weight	163.24
label	2,5-dimethylbenzothiazole, 2,5-dimethyl-Benzothiazole

Numbering system

CAS number:95-26-1

MDL number:MFCD00005796

EINECS number:202-404-4

RTECS number:DL3675000

BRN number:116455

PubChem number:24846833

Physical property data

1. Properties: white or brown crystals.

2. Density (g/mL, 20℃): Undetermined

3. Relative vapor density (g/mL, air=1): Undetermined

4. Melting point (ºC): 36-40

5. Boiling point (ºC, normal pressure): Undetermined

6. Boiling point (ºC, KPa): Undetermined

7. Refractive index: Undetermined

8. Flash point (ºC): >110

9. Specific rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (mmHg, ºC): Undetermined

12. Saturated vapor pressure (kPa, ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Log value of oil-water (octanol/water) distribution coefficient: Undetermined

17. Explosion upper limit (%, V /V): Undetermined

18. Lower explosion limit (%, V/V): Undetermined

19. Solubility: Undetermined

Toxicological data

1. Skin/eye irritation

Standard Draize test: rabbit, skin contact: 20mg/24H, severity of reaction: moderate.

Standard Draize test: Rabbit, eye contact: 20mg/24H, severity of reaction: moderate.

2. Acute toxicity: Rat oral LD50: 957mg/kg;

Ecological data

Slightly harmful to water.

Molecular structure data

1. Molar refractive index: 50.22

2. Molar volume (cm³/mol): 138.8

3. Isotonic specific volume (90.2K ): 363.7

4. Surface tension (dyne/cm): 47.1

5. Polarizability (10-24cm3): 19.90

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 3.1

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: none

6. Topological molecule polar surface area 41.1

7. Number of heavy atoms: 11

8. Surface charge: 0

9. Complexity: 149

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain atomic stereocenterNumber of stereocenters: 0

13. Determined number of stereocenters of chemical bonds: 0

14. Uncertain number of stereocenters of chemical bonds: 0

15. Number of covalent bond units: 1

Properties and stability

Avoid contact with oxides.

Storage method

Stored sealed in a cool, dry place. Make sure the workspace has good ventilation. Keep sealed. Keep away from sources of fire and store away from oxidizing agents.

Synthesis method

None

Purpose

None

2,5-Diphenyloxazole

Structural formula

Business number	0253
Molecular formula	C15H11NO
Molecular weight	221.25
label	2,5-diphenyl-1,3-oxazepine 2,5-diphenylazole

Numbering system

CAS number:92-71-7

MDL number:MFCD00005306

EINECS number:202-181-3

RTECS number:RP6825000

BRN number:157021

PubChem number:24893888

Physical property data

1. Character:Acicular crystals. Can evaporate slightly with water vapor.

2. Density (g/mL,25/4℃)：1.0940

3. Relative vapor density (g/mL,AIR=1): Undetermined

4. Melting point (ºC): 74

5. Boiling point (ºC,Normal pressure):360

6. Boiling point (ºC, 94.7kpa): Undetermined

7. Refractive index:1.6231

8. Flash Point (ºC): ＞150

9. Specific optical rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (kPa,25ºC): Undetermined

12. Saturated vapor pressure (kPa, 60ºC ): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Oil and water (octanol/Log value of the partition coefficient of water: undetermined

17. Explosion limit (%,V/V): Undetermined

18. Lower explosion limit (%,V/V): Undetermined

19. Solubility:Easily soluble in ethanol and ether, almost insoluble in water.

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 65.82

2. Molar volume (m³/mol）：196.0

3. isotonic specific volume (90.2K)：502.1

4. Surface Tension (dyne/cm):43.0

5. Polarizability（10^-24cm³): 26.09

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: none

6. Topological molecule polar surface area 26

7. Number of heavy atoms: 17

8. Surface charge: 0

9. Complexity: 231

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None

Storage method

This product should be sealed and stored in a cool place.

Synthesis method

will1gBenzoylaminobenzene Ethyl ketone is dissolved in5mlin sulfuric acid, heated over a water bath2min, pour into water, colorless crystals precipitate. Filter, there is petroleum ether (boiling range50-70℃) recrystallized to get2,5-Diphenyloxazole.

Purpose

Scintillation reagent.