1-Propanol

1-Propanol Structural Formula

Structural formula

Business number 01GD
Molecular formula C3H8O
Molecular weight 60.10
label

n-Propanol,

n-Propanol,

n-Propyl alcohol,

Optal,

AlcoholC3,

Propylic alcohol,

thinner,

dental detergent,

pesticides,

fungicides,

antifreeze,

adhesive,

paint solvents,

alcohol compounds

Numbering system

CAS number:71-23-8

MDL number:MFCD00002941

EINECS number:200-746-9

RTECS number:UH8225000

BRN number:1098242

PubChem number:24856894

Physical property data

1. Properties: colorless liquid with mellow smell. [1]

2. Melting point (℃): -127[2]

3. Boiling point (℃): 97.1[3]

4. Relative density (water = 1): 0.80[4]

5. Relative vapor Density (air=1): 2.1[5]

6. Saturated vapor pressure (kPa): 2.0 (20℃)[6]

7. Heat of combustion (kJ/mol): -2021.3[7]

8. Critical temperature (℃): 263.6[8]

9. Critical pressure (MPa): 5.17[9]

10. Octanol/water partition coefficient: 0.25 [10]

11. Flash point (℃): 15[11]

12. Ignition temperature (℃): 371 [12]

13. Explosion upper limit (%): 13.5[13]

14. Explosion lower limit (%) : 2.1[14]

15. Solubility: Miscible with water, miscible with most organic solvents such as ethanol and ether. [15]

16. Viscosity (mPa·s, 20ºC): 2.26

17. Heat of evaporation (KJ/kg, b.p.): 680.8

18. Heat of fusion (KJ/mol): 5.20

19. Heat of formation (KJ/mol): -300.9

20. Specific heat capacity (KJ/( kg·K), 20ºC, constant pressure): 2.45

21. Boiling point rising constant: 1.59

22. Conductivity (S/m, 18ºC): 9.17×10-9

23. Thermal conductivity (W/(m·K), 20ºC): 1.7166

24. Volume expansion coefficient (K– 1, 20ºC): 0.00107

25. Relative density (25℃, 4℃): 0.7998

26. Refractive index at room temperature (n25): 1.3837

27. Critical density (g·cm-3): 0.276

28. Critical volume (cm3·mol-1): 218

29. Critical compression factor: 0.252

30. Eccentricity factor: 0.628

31. Lennard-Jones parameter (A): 8.361

32. Lennard-Jones parameter (K): 223.0

33. Solubility parameter (J·cm– 3)0.5: 24.557

34. van der Waals area (cm2·mol-1 ): 6.280×109

35. van der Waals volume (cm3·mol-1): 42.170

36. Gas phase standard heat of combustion (enthalpy) (kJ·mol -1): 2068.65

37. Gas phase standard claims heat (enthalpy) (kJ·mol-1): -255.18

38. Gas phase standard entropy (J·mol-1·K-1): 322.58

39. Gas phase standard free energy of formation (kJ ·mol-1): -159.8

40. Gas phase standard hot melt (J·mol-1·K-1): 85.56

41. Liquid phase standard combustion heat (enthalpy) (kJ·mol-1): -2021.12

42. Liquid phase Standard claimed heat (enthalpy) (kJ·mol-1): -302.71

43. Liquid phase standard entropy (J·mol-1· K-1): 192.80

44. Liquid phase standard free energy of formation (kJ·mol-1): -168.78

45. Liquid phase standard hot melt (J·mol-1·K-1): 143.8

Toxicological data

1. Acute toxicity[16]

LD50: 1870mg/kg (rat oral); 6800mg/kg (mouse Oral); 2825mg/kg (rabbit oral); 5040mg/kg (rabbit transdermal)

LC50: 48000mg/m3 (mouse inhalation)

2. Irritation[17]

Rabbit transdermal: 500mg, mild irritation (open irritation test).

Rabbit eye: 20mg (24h), moderate irritation.

3. Others[18] LDLo: Female 1870mg/kg

Ecological data

1. Ecotoxicity[19]

LC50: 4.10~4.88g/L (96h) (fathead minnow)

IC50: 255~3100mg/L (72h) (algae)

2. Biodegradability No data yet

3. Non-biodegradability[20] In the air, when the concentration of hydroxyl radicals is 5.00×105/cm3, the degradation half-life is 2.9d (theoretical).

Molecular structure data

1. Molar refractive index: 17.48

2. Molar volume (cm3/mol): 75.5

3. Isotonic specific volume (90.2K ): 168.2

4. Surface tension (dyne/cm): 24.5

5. Polarizability (10-24cm3): 6.93

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: 1

5. Number of tautomers: none

6. Topological molecule polar surface area 20.2

7. Number of heavy atoms: 4

8. Surface charge: 0

9. Complexity: 7.2

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. It is miscible with various organic solvents such as water and alcohol, and can dissolve vegetable oils, animal oils, natural resins and some synthetic resins. Has an odor similar to ethanol. Non-corrosive to metals.

2. Chemical properties: Similar to ethanol, it is oxidized to produce propionaldehyde, which is further oxidized to produce propionic acid. Dehydration with sulfuric acid produces propylene.

3. It is of low toxicity. The physiological effects are similar to ethanol, but its anesthesia and mucous membrane irritation are slightly stronger than ethanol. It is also more toxic than ethanol and its bactericidal ability is three times stronger than ethanol. The olfactory threshold concentration is 73.62mg/m3. TJ 36-79 stipulates that the maximum allowable concentration in workshop air is 200 mg/m3.

4. Stability[21] Stable

5. Incompatible substances[22] Strong oxidants, acid anhydrides, acids, halogens

6. Polymerization hazards[23] No polymerization

Storage method

Storage Precautions[24] Stored in a cool, ventilated warehouse. Keep away from fire and heat sources. The storage temperature should not exceed 37℃. Keep container tightly sealed. They should be stored separately from oxidants, acids, halogens, and food chemicals, and avoid mixed storage. 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

1. Recovery method from isopropanol by-product: When propylene is directly hydrated to produce isopropanol, n-propanol is produced as a by-product, and n-propanol is produced from it.

2. Hydrogenation of propylene oxide Law.

3. Propanaldehyde hydrogenation method : Propanol and allyl alcohol are produced by hydrogenating propionaldehyde and acrolein. 4. Allyl alcohol hydrogenation method. 5. Methanol method. 6. Ethylene oxo synthesis method. The third method is a commonly used method in industry. Catalysts include hydroxyl compounds of cobalt and rhodium, ruthenium complexes, skeleton catalysts (such as nickel, copper), etc. The most commonly used are skeleton catalysts. The production methods include gas phase hydrogenation and flat liquid phase hydrogenation. The pressure of gas-phase hydrogenation is about 0.7MPa, and copper-based catalysts are mostly used; the pressure of liquid-phase hydrogenation is 2~4MPa, and nickel-based catalysts are mostly used.

4. Propionaldehyde is obtained through oxo synthesis of ethylene, and then n-propanol is obtained after hydrogenation. Alternatively, metal carbonyl compounds are used as catalysts to synthesize ethylene from ethylene. It can also be produced directly with water through liquid-phase oxidation of propane or butane.

5. The reaction formula of the methanol method is as follows:

6. The reaction formula of vinyl carbonylation method is as follows:

7. Use industrial n-propanol as raw material, first add bromine (1.5ml of bromine water per liter of n-propanol), After mixing evenly, crudely evaporate once, add a small amount of potassium carbonate to the crude product for distillation, take the middle fraction, add a desiccant for dehydration, and finally distill the middle fraction, which is the pure product.

Purpose

1. Propanol is used directly as a solvent or to synthesize propyl acetate. It is used in coating solvents, printing inks, cosmetics, etc. It is used in the production of n-propylamine, an intermediate for medicines and pesticides, and in the production of feed additives, synthetic flavors, etc. Propanol is used in the pharmaceutical industry to produce probenecid, sodium valproate, erythromycin, epileptic acid, adhesive hemostatic agent BCA, propylthiamine, dipropyl 2,5-pyridinedicarboxylate, etc.; Various esters synthesized from propanol are used in many aspects such as food additives, plasticizers, spices, etc. Derivatives of n-propanol, especially di-n-propylamine, have many applications in medicine and pesticide production, and are used to produce pesticide aminesulfonate. Lingmao, Diprofen, Propyrrolidone, Sulfuroxime, Trifluralin, etc.

2. Used as a solvent for vegetable oils, natural rubber and resins, some synthetic resins, ethyl cellulose, and polyvinyl butyral. It is also used in nitrocellulose spray paint, coatings, cosmetics, dental detergents, insecticides, fungicides, inks, plastics, antifreeze, adhesives, etc.

3. Generally used as solvent. It can be used as coating solvents, printing inks, cosmetics, etc., as an intermediate in the production of medicines and pesticides, and as an intermediate in the production of feed additives, synthetic flavors, etc. Propanol is widely used in the pharmaceutical industry, food additives, plasticizers, spices and many other aspects.

4. Used as solvent and used in pharmaceuticals, paints and cosmetics, etc. [25]

extended-reading:https://www.newtopchem.com/archives/44242
extended-reading:https://www.newtopchem.com/archives/1734
extended-reading:https://www.bdmaee.net/cas-23850-94-4-2/
extended-reading:https://www.newtopchem.com/archives/43960
extended-reading:https://www.newtopchem.com/archives/44543
extended-reading:https://www.newtopchem.com/archives/44151
extended-reading:https://www.bdmaee.net/wp-content/uploads/2022/08/115-4.jpg
extended-reading:https://www.bdmaee.net/catalyst-c-225/
extended-reading:https://www.bdmaee.net/low-odor-reaction-type-9727-catalyst-9727-reaction-type-catalyst-9727/
extended-reading:https://www.newtopchem.com/archives/40470</b

L-Histidine

L-histidine structural formula

Structural formula

Business number 01GC
Molecular formula C6H9N3O2
Molecular weight 155.16
label

L-A-Amino-β-4-imidazolylpropionic acid,

(S)-2-Amino-3-(4-imidazolyl)propionic acid,

Histidine,

Alpha-amino-1H-imidazole-4-propionic acid,

Imidazole-5-alanine,

2-Amine-3-imidazolepropionic acid,

L-2-amino-3-(4-imidazolyl)propionic acid,

L-alpha-Amino-beta-imidazolepropionic acid,

(S)-2-Amino-1H-imidazole-4-propanoic acid Glyoxaline-5-alanine,

Flavor enhancers and nutritional supplements,

amino acids,

intermediates,

Biochemical reagents

Numbering system

CAS number:71-00-1

MDL number:MFCD00064315

EINECS number:200-745-3

RTECS number:MS3070000

BRN number:84088

PubChem ID:None

Physical property data

1. Properties: white crystal or crystalline powder. Odorless. Slightly bitter

2. Density (g/mL, 25/4℃): 1.423

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

4. Melting point (ºC): 287(dec.)(lit.)

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

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

7. Refractive index: 13° (C=11, 6mol/L HCl)

8. Flash point (ºC): Uncertain Confirm

9. Specific rotation (º): 12.4 º (c=11,6N HCl)

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

p>

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

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

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

14. Critical temperature (ºC): Uncertain

15. Critical pressure (KPa): Uncertain

16. Oil and water Log value of (octanol/water) partition coefficient: Uncertain

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

18. Explosion lower limit (%, V /V): Uncertain

19. Solubility: soluble in water (4.3g/100ml, 25℃), extremely insoluble in ethanol, insoluble in ether

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 38.01

2. Molar volume (cm3/mol): 108.9

3. Isotonic specific volume (90.2K ): 325.6

4. Surface tension (dyne/cm): 79.6

5. Polarizability (10-24cm3): 15.07

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): -3.2

2. Number of hydrogen bond donors: 3

3. Number of hydrogen bond acceptors: 4

p>

4. Number of rotatable chemical bonds: 3

5. Number of tautomers: 2

6. Topological molecular polar surface area (TPSA): 92

7. Number of heavy atoms: 11

8. Surface charge: 0

9. Complexity: 151

10. Isotopic atoms Quantity: 0

11. Determine the number of atomic stereocenters: 1

12. Uncertain number of atomic stereocenters: 0

13. Determine the chemical bond establishment Number of stereocenters: 0

14, Number of uncertain chemical bond stereocenters: 0

15, Number of covalent bond units: 1

Properties and stability

1. Found in flue-cured tobacco leaves and burley tobacco leaves.

Storage method

①The basic amino acid part of protein hydrolyzate is separated by ion exchange resin.

② It is made from sugar as raw material and produced by fermentation method.

Fermentation of induced drug-resistant strains of Glucobrevibacterium glutamicum, Corynebacterium glutamicum, S. marcescens, etc.

L-Histidine

Synthesis method

1. Extracted from pig blood and cow blood. Pig blood is spray-dried to produce blood meal. Every 100kg of pig blood is about 18kg of blood meal. L-Histidine is commonly used as its hydrochloride ([7048-02-4]). Concentrate the eluate containing L-histidine until crystallization appears, adjust the pH to 2.5 with hydrochloric acid while hot, immediately add ethanol twice the amount of the solution, let it stand, precipitate, and filter to obtain L-histidine. The crude hydrochloride salt is decolorized, recrystallized and dried to obtain the finished product. L-histidine can also be extracted from the hydrolyzate of defatted soybeans.

2.Direct fermentation method

3. Tobacco: BU, 22; FC, 21. Its imidazole easily forms complex salts with metal ions.

Purpose

1. Mainly used as flavor enhancer and nutritional supplement. It can also be used in food for infants and young children and food for post-operative patients. It is also an important component of amino acid infusion and comprehensive amino acid preparations.

extended-reading:https://www.cyclohexylamine.net/polycat-17-trimethylhydroxyethyl-propanediamine/
extended-reading:https://www.bdmaee.net/wp-content/uploads/2020/06/25.jpg
extended-reading:https://www.newtopchem.com/archives/1039
extended-reading:https://www.bdmaee.net/polyurethane-thermal-delay-catalyst-nt-cate-129-heat-sensitive-metal-catalyst/
extended-reading:https://www.newtopchem.com/archives/1862
extended-reading:https://www.cyclohexylamine.net/lupragen-n104-pc-cat-nem/
extended-reading:https://www.bdmaee.net/wp-content/uploads/2022/08/37-2.jpg
extended-reading:https://www.newtopchem.com/archives/1598
extended-reading:https://www.bdmaee.net/lupragen-n700-catalyst-cas-6674-22-2-basf/
extended-reading:https://www.bdmaee.net/wp-content/uploads/2022/08/New-generation-sponge-hardener.pdf

3-iodo-L-tyrosine

3-iodo-L-tyrosine structure

Structural formula

Business number 01GB
Molecular formula C9H10INO3
Molecular weight 307.09
label

3-iodo-L-phenylaminopropionic acid,

3-Monoiodo-L-tyrosine,

IC6H3-4-(OH)CH2CH(NH2)CO2H

Numbering system

CAS number:70-78-0

MDL number:MFCD00002608

EINECS number:200-744-8

RTECS number:None

BRN number:2941266

PubChem ID:None

Physical property data

1. Properties: white crystal. It is unstable to light and releases iodine. Sensitive to air.

2. Density (g/mL, 25/4℃): Undetermined

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

4. Melting point (ºC): 204~206℃ (decomposition)

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

6. Boiling point (ºC, normal pressure) 5.2kPa): Not determined

7. Refractive index: Not determined

8. Flash point (ºC): Not determined

9. Specific rotation ( º): [α]D20 -4.4° (C=5, in 1mol/L hydrochloric acid)

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

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

12. Saturation 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/water) Log value of distribution coefficient: Undetermined

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

18. Explosion lower limit (%, V/V): Undetermined

19. Solubility: soluble in 15 parts of boiling water, soluble in dilute alkali, slightly soluble in water.

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 60.28

2. Molar volume (cm3/mol): 157.9

3. Isotonic specific volume (90.2K ): 462.4

4. Surface tension (dyne/cm): 73.5

5. Polarizability (10-24cm3): 23.89

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP): -1.1

2. Number of hydrogen bond donors: 3

3. Number of hydrogen bond acceptors: 4

p>

4. Number of rotatable chemical bonds: 3

5. Number of tautomers: 3

6. Topological molecular polar surface area (TPSA): 83.6

7.Number of heavy atoms: 14

8, Surface charge: 0

9, Complexity: 212

10, Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 1

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. The number of uncertain stereocenters of chemical bonds: 0

15. The number of covalent bonding units: 1

Properties and stability

None

Storage method

This product should be sealed and stored in a dry place below 0℃ and protected from light.

Synthesis method

None

Purpose

Used in biochemical research as an inhibitor of tyrosine hydroxylase. ​​​​

extended-reading:https://www.bdmaee.net/wp-content/uploads/2022/08/Lupragen-DMI-gel-catalyst-Lupragen-DMI-epoxy-resin-curing-agent-Lupragen-DMI.pdf
extended-reading:https://www.bdmaee.net/dabco-mp602-catalyst-cas31506-44-2-evonik-germany/
extended-reading:https://www.newtopchem.com/archives/category/products/page/22
extended-reading:https://www.bdmaee.net/cas-2273-45-2/
extended-reading:https://www.bdmaee.net/wp-content/uploads/2022/08/-BX405-low-odor-amine-catalyst-BX405–BX405-polyurethane-catalyst.pdf
extended-reading:https://www.bdmaee.net/wp-content/uploads/2022/08/40.jpg
extended-reading:https://www.newtopchem.com/archives/45168
extended-reading:https://www.newtopchem.com/archives/39763
extended-reading:https://www.newtopchem.com/archives/44356
extended-reading:https://www.bdmaee.net/wp-content/uploads/2022/08/Tetramethylpropanediamine-CAS110-95-2-TMPDA.pdf

4′-Hydroxypropiophenone

4'-hydroxypropiophenone structural formula

Structural formula

Business number 01GA
Molecular formula C9H10O2
Molecular weight 150.18
label

p-Hydroxypropiophenone,

4-Hydroxypropiophenone,

p-propionylphenol,

Hydrolyzed polyacrylamide,

HOC6H4COC2H5

Numbering system

CAS number:70-70-2

MDL number:MFCD00002361

EINECS number:200-743-2

RTECS number:UH1925000

BRN number:907511

PubChem ID:None

Physical property data

1. Character: white needle-like or prismatic crystal

2. Density (g/mL, 25/4℃): Uncertain

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

4. Melting point (ºC): 36-38(lit.)

5. Boiling point (ºC, normal pressure): Not available Confirm

6. Boiling point (ºC, 26mmHg): 152-154(lit.)

7. Refractive index: Uncertain

8. Flash point ( ºF): >230

9. Specific rotation (º): Uncertain

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

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

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

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

14. Critical temperature (ºC): Uncertain

15. Critical pressure (KPa): Uncertain

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

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

18. Explosion lower limit (%, V/V): Uncertain

19. Solubility: Slightly soluble in water (0.34 g/l, 15 ºC), easily soluble in boiling water, miscible with alcohol and ether

Toxicological data

Acute toxicity: rat oral LD: >500 mg/kg; mouse intraperitoneal LD50: 200 mg/kg; mouse subcutaneous injection LD50: 1130 ug/kg; kg; breeding: rat intramuscular TDLo: 1600 mg/kgSEX/DURATION: female 15-30 day(s) after conception;

Ecological data

None

Molecular structure data

1. Molar refractive index: 42.79

2. Molar volume (cm3/mol): 135.9

3. Isotonic specific volume (90.2K ): 347.2

4. Surface tension (dyne/cm): 42.6

5. Polarizability (10-24cm3): 16.96

Computing chemical data

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

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: 7

6. Topological molecule polar surface area 37.3

7. Number of heavy atoms: 11

8. Surface charge: 0

9. Complexity: 135

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, dry and dark place.

Synthesis method

Add anhydrous aluminum trichloride to carbon disulfide, stir, and add phenyl propionate dropwise. The reaction occurs immediately and hydrogen chloride is released. The carbon disulfide refluxes due to the heat generated by the reaction. After the dropwise addition is completed, the reaction mixture is heated to reflux for 2 hours until hydrogen chloride no longer escapes. The carbon disulfide is evaporated, the temperature is raised to 140-150°C and kept for 3 hours, and hydrogen chloride is released. The resulting resinous substance is cooled, and hydrochloric acid and water are slowly added to decompose the aluminum double salt. Place in the refrigerator overnight, filter, and recrystallize the filter cake with methanol to obtain p-hydroxypropiophenone, with a yield of 34-39%.

Purpose

Organic synthesis. Used as liquid crystal raw materials and intermediates.

extended-reading:https://www.newtopchem.com/archives/44462
extended-reading:https://www.bdmaee.net/jeffcat-dmea-catalyst-cas107-15-3-huntsman/
extended-reading:https://www.newtopchem.com/archives/44971
extended-reading:https://www.newtopchem.com/archives/44428
extended-reading:https://www.morpholine.org/delayed-catalyst/
extended-reading:https://www.bdmaee.net/wp-content/uploads/2020/07/NEWTOP4.jpg
extended-reading:https://www.bdmaee.net/wp-content/uploads/2022/08/42.jpg
extended-reading:https://www.bdmaee.net/wp-content/uploads/2022/08/Dibutyltin-monooctyl-maleate-CAS25168-21-2-BT-58C.pdf
extended-reading:https://www.bdmaee.net/jeffcat-zr-70-catalyst-cas1704-62-7-huntsman/
extended-reading:https://www.newtopchem.com/archives/1875

5-methylnicotinamide

5-methylnicotinic acid amide structural formula

Structural formula

Business number 01G9
Molecular formula C7H8N2O
Molecular weight 136.15
label

5-methylnicotinamide,

5-methylpyridine-3-carboxamide

Numbering system

CAS number:70-57-5

MDL number:MFCD05664041

EINECS number:000-000-0

RTECS number:None

BRN number:4962976

PubChem ID:None

Physical property data

1. Properties: Uncertain

2. Density (g/mL, 25/4℃): Uncertain

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

4. Melting point (ºC): 166-168

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

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

7. Refractive index: Uncertain

8. Flash point (ºC): Uncertain

9 . Specific rotation (º): Uncertain

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

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

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

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

14. Critical temperature (ºC): Uncertain

15. Critical pressure (KPa): Uncertain

16. Log value of oil-water (octanol/water) partition coefficient: Uncertain

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

18. Explosion lower limit (%, V/V): Uncertain

19. Solubility : Unsure

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 38.09

2. Molar volume (cm3/mol): 117.6

3. Isotonic specific volume (90.2K ): 313.4

4. Surface tension (dyne/cm): 50.4

5. Polarizability (10-24cm3): 15.10

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 0.1

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: 2

6. Topological molecule polar surface area 56

7. Number of heavy atoms: 10

8. Surface charge: 0

9. Complexity: 136

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

None

Synthesis method

None

Purpose

None

extended-reading:https://www.bdmaee.net/dibutylstanniumdichloride/
extended-reading:https://www.bdmaee.net/cas-10584-98-2/
extended-reading:https://www.newtopchem.com/archives/44352
extended-reading:https://www.newtopchem.com/archives/44906
extended-reading:https://www.bdmaee.net/nt-cat-k2097-catalyst-cas127-08-2-newtopchem/
extended-reading:https://www.bdmaee.net/dabco-bl-11-catalyst-cas3033-62-3-evonik-germany/
extended-reading:https://www.morpholine.org/flumorph/
extended-reading:https://www.morpholine.org/jeffcat-zf-10/
extended-reading:https://www.morpholine.org/morpholine/
extended-reading:https://www.bdmaee.net/dabco-xd-104-dabco-tertiary-amine-catalyst-catalyst-xd-104/

p-toluenesulfonamide

Structural formula of p-toluenesulfonamide

Structural formula

Business number 01G8
Molecular formula C7H9NO2S
Molecular weight 171.22
label

4-Toluenesulfonamide,

To sulfonamide,

Toluene-4-sulfonamide,

Toluenesulfonamide,

p-sulfonamide toluene,

4-Toluene sulfonamide,

On sulfonamide,

Toluene-4-sulfonamide,

Toluene sulfonamide,

On ammonia toluene sulfonyl,

Toughening agent,

aromatic sulfur compounds

Numbering system

CAS number:70-55-3

MDL number:MFCD00011692

EINECS number:200-741-1

RTECS number:XT5075000

BRN number:472689

PubChem number:24854164

Physical property data

1. Character: White flake or leaf-like crystal

2. Density (g/mL, 25/4℃): Uncertain

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

4. Melting point (ºC): 138.5~139

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

6. Boiling point (ºC, 10mmHg): 221

7. Refractive index: Uncertain

8. Flash point (ºC): 202

9. Specific rotation (º): Uncertain

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

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

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

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

14. Critical temperature (ºC): Uncertain

15. Critical pressure (KPa): Uncertain

16 . The logarithmic value of the oil-water (octanol/water) partition coefficient: Uncertain

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

18. Explosion lower limit (% ,V/V): Uncertain

19. Solubility: Soluble in ethanol, insoluble in water (0.32 g/100 mL, 25 º C) and ether.

Toxicological data

Acute toxicity: mouse intraperitoneal LC50: 250 mg/kg; subcutaneous injection of LDLo in guinea pigs: 2 mg/kg; oral LD50 of wild birds: 75 mg/kg; mutagenicity: Salmonella microbial changes test system: 40 umol/plate;

Ecological data

None

Molecular structure data

1. Molar refractive index: 43.81

2. Molar volume (cm3/mol): 134.6

3. Isotonic specific volume (90.2K ): 351.2

4. Surface tension (dyne/cm): 46.3

5. Polarizability (10-24cm3): 17.36

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: 3

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: none

6. Topological molecule polar surface area 68.5

7. Number of heavy atoms: 11

8. Surface charge: 0

9. Complexity: 209

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

Storage method

1. Packed in an inner plastic bag, an outer woven bag or an inner plastic bag, a middle layer of kraft paper bag, and an outer woven bag. Handle it with care during storage and transportation, and protect it from moisture and heat. Store and transport according to regulations for flammable and toxic substances. 2. This product should be stored in a sealed, cool and dry place.

Synthesis method

1. Obtained from the reaction of p-toluenesulfonyl chloride and ammonia. Process flow: first put an appropriate amount of ice water into the amination pot, and then mix it according to the mass Ratio (p-toluenesulfonyl chloride: pure ammonia = 1:0.2). Put the measured p-toluenesulfonyl chloride and ammonia water into the pot in sequence, start the stirrer, and use the cold liquid in the amination pot jacket to control the temperature in the pot to about 70°C. (This reaction generates a lot of heat), then lower the temperature to about 30°C and discharge the material. Put the amination into a filter bucket and filter, wash with warm water, and blot dry to obtain solid powdery crude p-toluenesulfonamide. Crude p-toluenesulfonamide contains a small amount of o-toluene sulfonamide by-product, oily colored substance. The purpose of purification and refining can be achieved by utilizing the property of para-amine to be easily soluble in sodium hydroxide solution and using activated carbon for decolorization. The material mass ratio is crude para-amine: 30% sodium hydroxide, liquid alkali: water = 100: 45: 1300; crude para-amine: activated carbon = 100: (2.5-3.5). Put the water and caustic soda into the purification pot according to the formula amount, open the jacketed steam valve and heat it to 70°C, then add the formula amount of crude para-amine, start the rear stirrer, and wait until the crude para-amine is completely dissolved. Add the formula amount of activated carbon, continue stirring for 0.5h, put the material liquid into the filter barrel, filter it with heat, wash it with hot water, and suck it dry. The filtrate is immediately poured into the refining pot, neutralized with hydrochloric acid to PH value = 2-3, and cooled to about 30-35°C. The material liquid is put into a filter barrel to filter, then washed with water until neutral, moved to a centrifuge and centrifuged to dry, that is It is a finished product containing 10% water. If a dry product is required, it is sent to an air flow dryer for drying to obtain a finished p-toluenesulfonamide product containing 1% water. 2. For p-toluenesulfonyl chloride and Pure ammonia was added to the ice water in sequence, and the mass ratio of p-toluenesulfonyl chloride and pure ammonia was controlled to be 1:0.2. The reaction was carried out under stirring, and the temperature was cooled and controlled to 70°C. After the reaction is completed, After cooling, filtering and washing, the crude product is obtained. The crude product is subjected to alkali washing, decolorization, water washing, neutralization, filtration, water washing and drying to obtain the finished product.

Purpose

1. Used in organic synthesis. p-Toluenesulfonamide is mainly used in the synthesis of chloramine-T and chloramphenicol (Tevenel). 2. Used for synthesizing fluorescent dyes, manufacturing plasticizers, synthetic resins, coatings, disinfectants and wood processing brighteners, etc. 3. Mainly used as a toughening agent for the synthesis of water-soluble melamine formaldehyde resin. 4.Used as primary brightener in bright nickel plating. Used for bright multi-layer nickel plating to make the coating bright and uniform. The general dosage is 0.2~0.3g/L.

extended-reading:https://www.newtopchem.com/archives/538
extended-reading:https://www.bdmaee.net/wp-content/uploads/2022/08/-25-S-Lupragen-N202-TEDA-L25B.pdf
extended-reading:https://www.newtopchem.com/archives/44038
extended-reading:https://www.bdmaee.net/nt-cat-t45-catalyst-cas121-143-5-newtopchem/
extended-reading:https://www.newtopchem.com/archives/42992
extended-reading:https://www.newtopchem.com/archives/44937
extended-reading:https://www.newtopchem.com/archives/category/products/page/92
extended-reading:https://www.morpholine.org/category/morpholine/page/9/
extended-reading:https://www.newtopchem.com/archives/968
extended-reading:https://www.newtopchem.com/archives/1037

DL-lysine

Structural formula

Business number 01G7
Molecular formula C6H14N2O2
Molecular weight 146.19
label

DL-2,6-diaminocaproic acid,

Tetracyanoethylene,

DL-lysine monohydrate

Numbering system

CAS number:70-54-2

MDL number:MFCD00064432

EINECS number:200-740-6

RTECS number:None

BRN number:1616991

PubChem number:24896317

Physical property data

1. Properties: colorless crystals

2. Density (g/mL, 25/4℃): 1.12

3. Relative vapor density (g/mL, Air=1): Uncertain

4. Melting point (ºC): 170 (dec.)(lit.)

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

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

7. Refractive index: Uncertain

8. Flash point (ºC): Uncertain

9. Specific rotation (º): Uncertain

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

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

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

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

14. Critical temperature (ºC): Uncertain

15. Critical pressure (KPa): Uncertain

16. Oil-water (octanol/water) partition coefficient relationship Value: Uncertain

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

18. Explosion lower limit (%, V/V): Uncertain

19. Solubility: soluble in water, slightly soluble in ethanol, insoluble in ether

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 38.43

2. Molar volume (cm3/mol): 129.9

3. Isotonic specific volume (90.2K ): 348.1

4. Surface tension (dyne/cm): 51.5

5. Polarizability (10-24cm3): 15.23

Compute chemical data

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

2. Number of hydrogen bond donors: 3

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 5

5. Number of tautomers: none

6. Topological molecule polar surface area 89.3

7. Number of heavy atoms: 10

8. Surface charge: 0

9. Complexity: 106

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 1

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 kept sealed, cool and dry.

Synthesis method

It can be extracted from the protein hydrolyzate produced by co-heating of protein and alkali or produced by organic synthesis using dihydropyran as raw material. The resulting product is DL-lysine. In fact, it is the same amount. A mixture of D-lysine molecules and L-lysine molecules are optical isomers of each other.

Purpose

Lysine is a key substance that helps other nutrients be fully absorbed and utilized by the human body. Only by supplementing enough L-lysine can the human body improve the absorption and utilization of food protein, achieve balanced nutrition, and promote growth and development.

extended-reading:https://www.bdmaee.net/niax-a-337-delayed-tertiary-amine-catalyst-momentive/
extended-reading:https://www.morpholine.org/category/morpholine/n-acetylmorpholine/
extended-reading:https://www.bdmaee.net/tin-tetrachloride-anhydrous/
extended-reading:https://www.bdmaee.net/tegoamin-bde-100/
extended-reading:https://www.newtopchem.com/archives/42953
extended-reading:https://www.bdmaee.net/niax-c-124-low-odor-tertiary-amine-catalyst-momentive/
extended-reading:https://www.newtopchem.com/archives/42995
extended-reading:https://www.cyclohexylamine.net/dabco-ne300-nnn-trimethyl-n-3-aminopropyl-bisaminoethyl-ether/
extended-reading:https://www.cyclohexylamine.net/category/product/page/7/
extended-reading:https://www.bdmaee.net/wp-content/uploads/2021/05/3-9.jpg

6-Methylmercaptopurine

6-Methylmercaptopurine structural formula

Structural formula

Business number 013Z
Molecular formula C6H6N4S
Molecular weight 166.2
label

6-Methylmercaptopurine,

6-(Methylthio)purine,

6-(methylthio)purine,

6-Methylmercaptopurine

Numbering system

CAS number:50-66-8

MDL number:MFCD00005576

EINECS number:200-057-3

RTECS number:UO8976000

BRN number:7695

PubChem ID:None

Physical property data

1. Properties: Uncertain

2. Density (g/mL, 25/4℃): Uncertain

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

4. Melting point (ºC): 219-223 °C

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

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

7. Refractive index: Uncertain

8. Flash point (ºC): Uncertain

9. Specific optical rotation (º): Uncertain

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

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

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

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

14. Critical temperature (ºC): Uncertain

15. Critical pressure (KPa): Uncertain

16. Log value of oil-water (octanol/water) partition coefficient: Uncertain OK

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

18. Explosion lower limit (%, V/V): Uncertain

19. Solubility: Uncertain

Toxicological data

1. Acute toxicity: mouse parenteral LD50: 115mg/kg; mouse LD10: 94mg/kg

Ecological data

None

Molecular structure data

1. Molar refractive index: 44.26

2. Molar volume (cm3/mol): 112.8

3. Isotonic specific volume (90.2K ): 348.9

4. Surface tension (dyne/cm): 91.4

5. Polarizability (10-24cm3): 17.54

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: 4

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: 4

6. Topological molecule polar surface area 79.8

7. Number of heavy atoms: 11

8. Surface charge: 0

9. Complexity: 143

10. Number of isotope atoms: 0

11. Determined number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the 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

None

Storage method

None

Synthesis method

None

Purpose

None

extended-reading:https://www.newtopchem.com/archives/947
extended-reading:https://www.morpholine.org/3164-85-0-2/
extended-reading:https://www.bdmaee.net/wp-content/uploads/2022/08/124-1.jpg
extended-reading:https://www.cyclohexylamine.net/foaming-catalyst-foaming-catalyst-blx-11/
extended-reading:https://www.newtopchem.com/archives/44723
extended-reading:https://www.newtopchem.com/archives/44215
extended-reading:https://www.newtopchem.com/archives/738
extended-reading:https://www.newtopchem.com/archives/42767
extended-reading:https://www.newtopchem.com/archives/1811
extended-reading:https://www.bdmaee.net/wp-content/uploads/2022/08/-37-low-odor-polyurethane-rigid-foam-catalyst-polyurethane-rigid-foam-catalyst.pdf

Chloroquinine diphosphate

Chloroquinine diphosphate structural formula

Structural formula

Business number 013Y
Molecular formula C18H26N3Cl·2H3PO4
Molecular weight 515.86
label

7-Chloro-4-(4-diethylamino-1-methylbutylamino)quinoline diphosphate,

Quinoline chloride phosphate,

Chloroquine Phosphate,

Chloroquine diphosphate,

Chloroquine diphosphate,

(+/-)-Chloroquine Diphosphate,

(+/-)-Chloroquine Diphosphate Salt,

Chloroquine bis(phosphate),

1,4-Pentanediamine,N4-(7-chloro-4-quinolinyl)-N1,N1-diethyl-,phosphate (1:2),

N4-(7-Chloro-4-quinolinyl)-N1,N1

Numbering system

CAS number:50-63-5

MDL number:MFCD00069852

EINECS number:200-055-2

RTECS number:VB2450000

BRN number:4223142

PubChem number:24278090

Physical property data

1. Character:Colorless crystal. Bitter


2. Density (g/mL ,25/4): Undetermined


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


4. Melting point (ºC):193195(215218) .


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


6. Boiling point ( ºC, 5.2 kPa): 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,25 ºC): Not OK


12. Saturated vapor pressure (kPa ,60 ºC): 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:Easily soluble in water (1%Aqueous solutionpHapproximately4.5, less soluble when neutral or alkaline). Almost insoluble in ethanol, benzene, chloroform and ether.


Toxicological data

None

Ecological data

None

Molecular structure data

None

Compute chemical data

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

2. Number of hydrogen bond donors: 7

3. Number of hydrogen bond acceptors: 11

4. Number of rotatable chemical bonds: 8

5. Number of tautomers: 3

6. Topological molecule polar surface area 184

7. Number of heavy atoms: 32

8. Surface charge: 0

9. Complexity: 359

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 1

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 3

Properties and stability

None

Storage method

This product is sealed and stored in a dry place away from light.

Synthesis method

4,7-Chloroquinoline and2-Amino -5Condensation of diethylaminopentane gives chloroquine .

Purpose



Used as an antimalarial drug.

extended-reading:https://www.newtopchem.com/archives/44163
extended-reading:https://www.newtopchem.com/archives/987
extended-reading:https://www.newtopchem.com/archives/45205
extended-reading:https://www.bdmaee.net/kaolizer-12p/
extended-reading:https://www.bdmaee.net/wp-content/uploads/2022/08/58.jpg
extended-reading:https://www.morpholine.org/polyurethane-catalyst-pc41/
extended-reading:https://www.bdmaee.net/wp-content/uploads/2022/08/FASCAT9201-catalyst-dibutyl-tin-oxide-FASCAT9201.pdf
extended-reading:https://www.bdmaee.net/cas-616-47-7/
extended-reading:https://www.newtopchem.com/archives/45056
extended-reading:https://www.newtopchem.com/archives/44169

DL-lysine hydrochloride

DL-lysine hydrochloride structural formula

Structural formula

Business number 01G6
Molecular formula C6H14N2O2
Molecular weight 182.65
label

DL-2,6-diaminocaproic acid hydrochloride,

DL-2,6-Diaminohexanoic acid monohydrochloride,

NH2(CH2)4CH(NH2)COOH · HCl,

amino acids,

pharmaceutical intermediates,

Amino acid salt

Numbering system

CAS number:70-53-1

MDL number:MFCD00064563

EINECS number:200-739-0

RTECS number:None

BRN number:4711993

PubChem number:24896425

Physical property data

1. Appearance: White crystalline powder

2. Density (g/mL, 25/4℃): Uncertain

3. Relative vapor density (g/mL, Air=1): Uncertain

4. Melting point (ºC): 260-2635. Boiling point (ºC, normal pressure): Uncertain

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

7. Refractive index: Uncertain

8. Flash point (ºC): Uncertain

9. Specific rotation (º): Uncertain

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

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

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

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

14. Critical temperature (ºC): Uncertain

15 . Critical pressure (KPa): Uncertain

16. Log value of oil-water (octanol/water) partition coefficient: Uncertain

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

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

19. Solubility: soluble in water, slightly soluble in methanol, almost insoluble in benzene, Ether and chlorinated hydrocarbons.

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 38.43

2. Molar volume (cm3/mol): 129.9

3. Isotonic specific volume (90.2K ): 348.1

4. Surface tension (dyne/cm): 51.5

5. Polarizability (10-24cm3): 15.23

Compute chemical data

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

2. Number of hydrogen bond donors: 4

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 5

5. Number of tautomers: none

6. Topological molecule polar surface area 89.3

7. Number of heavy atoms: 11

8.Surface charge: 0

9. Complexity: 106

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 1

13. Determined number of chemical bond stereocenters: 0

14. Uncertain number of chemical bond stereocenters :0

15. Number of covalent bond units: 2

Properties and stability

None

Storage method

This product should be sealed, cool, dry and protected from light.

Synthesis method

None

Purpose

For biochemical research. ​​​

extended-reading:https://www.newtopchem.com/archives/561
extended-reading:https://www.newtopchem.com/archives/39742
extended-reading:https://www.bdmaee.net/zinc-neodecanoate-2/
extended-reading:https://www.bdmaee.net/fascat-4200/
extended-reading:https://www.cyclohexylamine.net/author/admin/
extended-reading:https://www.bdmaee.net/delayed-amine-catalyst-a-400/
extended-reading:https://www.newtopchem.com/archives/category/products/page/153
extended-reading:https://www.bdmaee.net/polycat-33-catalyst-cas10144-28-9-evonik-germany/
extended-reading:https://www.morpholine.org/cas-83016-70-0/
extended-reading:https://www.newtopchem.com/archives/category/products/page/46