PU Technology – Page 279

Phenothiazine

Structural formula

Business number	025B
Molecular formula	C12H9NS
Molecular weight	199.27
label	Sulfur-containing nitrogen (hetero)anthracene, 10H-phenothiazine, Thiazaanthracene, diphenylamine sulfide, Thiazaanthracene, Dibenzo-1,4-thiazine, Thiodiphenolamine, Thiodiphenylamine, Longxiang rice, 10H-Phenothiazin, Polymerization inhibitor, pesticides, Heterocyclic compounds

Numbering system

CAS number:92-84-2

MDL number:MFCD00005015

EINECS number:202-196-5

RTECS number:SN5075000

BRN number:143237

PubChem number:24859973

Physical property data

1. Appearance: yellow to green powder or flake crystal

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

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

4. Melting point (ºC): 185.5～185.9

5. Boiling point (ºC, normal pressure): 310~312℃ (sublimation at 315℃)

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

7. Refractive index: Undetermined

8. Flash point (ºC): Undetermined

9. Specific rotation (º): Undetermined

10. Spontaneous combustion Point or ignition temperature (ºC): Not determined

11. Vapor pressure (kPa, 25ºC): Not determined

12. Saturated vapor pressure (kPa, 60ºC): Not determined

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) partition coefficient: Undetermined

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

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

19. Solubility: Soluble in ether, benzene, acetic acid, chloroform and petroleum, slightly soluble in ethanol, insoluble in water.

Toxicological data

Irritating to eyes, skin, mucous membranes and upper respiratory tract.

Ecological data

None

Molecular structure�Data

1. Molar refractive index: 60.69

2. Molar volume (cm³/mol): 161.5

3. Isotonic specific volume (90.2K ): 435.0

4. Surface tension (dyne/cm): 52.5

5. Polarizability (10^-24cm³): 24.06

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: 2

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: none

6. Topological molecule polar surface area 37.3

7. Number of heavy atoms: 14

8. Surface charge: 0

9. Complexity: 187

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 easy to oxidize and become darker when stored in the air for a long time, and has sublimation properties. It has a slight odor and is irritating to the skin. Combustible in case of open flame or high heat.

2.Toxic, especially incompletely refined products mixed with diphenylamine, which can be toxic if ingested or inhaled. This product can be absorbed by the skin, causing skin allergies, dermatitis, discoloration of hair and nails, inflammation of the conjunctiva and cornea. It can also stimulate the gastrointestinal tract, damage the kidneys and liver, and cause hemolytic anemia, abdominal pain, and tachycardia. Operators should wear protective equipment. Those who accidentally take it should have their stomach lavaged immediately and get medical treatment.

Storage method

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

Packed in 20kg lined plastic bags, outer woven bags or plastic barrels. Store in a cool, dry and ventilated warehouse. Keep away from moisture and water, sun protection, and away from fire and heat sources. When transporting, load and unload gently to prevent damage to the packaging.

Synthesis method

1. Add diphenylamine, iodine tablets and sulfur into the reaction kettle in sequence, heat with induction for about 4 hours, and raise the temperature to 200 Around ℃. Stir for 2 hours to carry out the vulcanization reaction, then directly heat to 220-250°C with superheated steam. At the same time, blow the reaction product phenothiazine to the receiver, then discharge it to the suction filter, and drain the water under vacuum. The filter cake is washed with a mixture of alcohol and hexamethylenetetramine (mass ratio 1.5:1), dried with hot air, and then crushed to obtain the finished product. The hydrogen sulfide produced during the reaction can be absorbed by sodium hydroxide. The purity of the obtained product is 94% to 97%. The product can be further refined by ethanol recrystallization and activated carbon decolorization.

2.Raise the temperature of diphenylamine, sulfonate and sulfur and stir to carry out vulcanization reaction. The moisture of the reaction product phenothiazine was drained under vacuum. The filter cake is washed with a mixture of alcohol and hexamethylenetetramine, dried with hot air, and then crushed to obtain the finished product. The purity of the obtained product is 94% to 97%. It can be further refined using ethanol recrystallization and activated carbon decolorization.

Purpose

1. Phenothiazine is an intermediate for fine chemicals such as drugs and dyes. It itself is an additive for synthetic materials (for the production of vinylon polymerization inhibitors), fruit tree pesticides and veterinary anthelmintics. It has significant effects on gastric worms, nodules, stomatozoal nematodes, Charyx nematodes in cattle, sheep and horses, and thin neck nematodes in sheep. It is used as a polymerization inhibitor for vinyl acetate and vinylon production, and as an additive for synthetic materials such as rubber antioxidants. It is also used in the synthesis of medicines and dyes, as well as anthelmintics for livestock and insecticides for fruit trees. 2.This product is for Used as polymerization inhibitor for vinyl acetate and vinylon production, and as additive for rubber antioxidant and other synthetic materials. It is also used in the synthesis of medicines and dyes, as well as anthelmintics for livestock and insecticides for fruit trees.

4-Methylaminophenol sulfate

Structural formula

Business number	016W
Molecular formula	C7H9NO·1/2H2SO4
Molecular weight	172.19
label	4-(methylamino)phenol sulfate, Metol

Numbering system

CAS number:55-55-0

MDL number:MFCD00013140

EINECS number:200-237-1

RTECS number:SL8650000

BRN number:3919382

PubChem number:24859237

Physical property data

1. Character:Colorless needle-like crystals. Discolors in air.

2. Density (g/mL,25/4℃): 1.250

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

4. Melting point (ºC): 260℃(decomposition)

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

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

7. Refractive index: Undetermined

8. Flashpoint (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 water) partition coefficient: Undetermined

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

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

19. Solubility:soluble in201 cup cold water,6part of boiling water, slightly soluble in ethanol, insoluble in ether.

Toxicological data

1, acute toxicity: rat oral LDLo: 200mg/kg; rat abdominal cavity LD50: 50mg/kg; Rat LD50: 705mg/ kg; mouse oral LD50: 565mg/kg; mouse LD50: 769 mg/kg; Guinea pig, skin contact LD50: > 1mg/kg; guinea pigLD50: 1585 mg/kg;

2, other multi-dose Toxicity: Rat Oral TDLo: 9350mg/kg/11D-C; Rat Oral TDLo: 6600mg/kg/94D-I; Rat TDLo: 4300mg/kg/61D-I
3, mutagenicity: mutationmicroorganismsTESTSystem: bacteria–Salmonella typhimurium: 167ug/plate

Ecological data

None

Molecular structure data

None

Compute chemical data

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

2. Number of hydrogen bond donors: 6

3. Number of hydrogen bond acceptors: 8

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: 3

6. Topological molecular polar surface area (TPSA):139

7. Number of heavy atoms: 23

8. Surface charge: 0

9. Complexity: 158

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. The number of uncertain atomic stereocenters: 0

13. Determine the chemical bond configurationCore quantity: 0

14. Uncertain number of chemical bond stereocenters: 0

15. Number of covalent bond units: 3

Properties and stability

None

Storage method

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

Synthesis method

Methylaminophenol ([ 150-75-4]), and then converted into salt.

Purpose

mso-ascii-font-family: Arial; mso-hansi-font -family: Arial; mso-bidi-font-family: Arial; mso-font-kerning: 1.0pt; mso-ansi-language: EN-US; mso-fareast-language: ZH-CN; mso-bidi-language: AR-SA”>Separation of gold and palladium. Reduction of phosphomolybdic acid. Assay silver. Determination of gold and silver. Developer. Fur dyeing.
mso-ascii-font-family: Arial; mso-hansi-font -family: Arial; mso-bidi-font-family: Arial; mso-font-kerning: 1.0pt; mso-ansi-language: EN-US; mso-fareast-language: ZH-CN; mso-bidi-language: AR-SA”>This product is a representative and main fast developer, and is also often pronounced as Mettal. It can be used alone or in combination with hydroquinone, and the effect is very good. The relative reducing power of this product is about 20 times that of hydroquinone. The developer made of this product and hydroquinone in the ratio of 1: 2-4 is called MQ developer; if formulated with partial acid, it can be used as a microparticle developer (film sensitivity is 1/2).

Methyl bromoacetate

Structural formula

Business number	02AY
Molecular formula	C3H5BrO2
Molecular weight	152.97
label	Methyl bromoacetate, Bromo acetic acid methyl ester, pesticides, Mildew remover solvent, Aliphatic carboxylic acids and their derivatives

Numbering system

CAS number:96-32-2

MDL number:MFCD00000189

EINECS number:202-499-2

RTECS number:AF6300000

BRN number:506256

PubChem number:24850306

Physical property data

1. Properties: colorless to yellow liquid, hygroscopic. ^[1]

2. Melting point (℃): -50^[2]

3. Boiling point (℃): 145~146.7^[3]

4. Relative density (water=1): 1.635 (20℃)^[4]

5. Saturated vapor pressure (kPa): 2.00 (51℃)^[5]

6. Octanol/water partition coefficient: 0.72^[6]

7. Flash point (℃): 62.8^[7]

8. Solubility: insoluble in water, soluble in methanol and ether . ^[8]

Toxicological data

1. Acute toxicity: Intravenous injection of LCL0 into mice: 15800μg/kg;

2. It is strongly irritating to the eyes, mucous membranes or skin, has tear-inducing properties in the eyes, and can cause severe burns. It is easy to be absorbed through the skin if it touches the skin, or it may cause poisoning if accidentally ingested or inhaled vapor or dust. The maximum allowable concentration in the air is 100mg/m3.

Ecological data

This substance is slightly hazardous to water.

Molecular structure data

1. Molar refractive index: 25.45

2. Molar volume (cm³/mol): 94.7

3. Isotonic specific volume (90.2K ): 228.3

4. Surface tension (dyne/cm): 33.7

5. Dielectric constant:

6. Dipole moment (10^-24cm³):

7. Polarizability: 10.09

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 0.9

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:

6. Topological molecular polar surface area (TPSA): 26.3

7. Number of heavy atoms: 6

8. Surface charge: 0

9. Complexity: 52.8

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 Number: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

1. Decomposition by heat releases toxic gases. Can burn when exposed to open fire.

2. Stability^[9] Stable

3. Incompatible substances^[10]Acids, alkalis, strong oxidants, strong reducing agents

4. Avoid contact� Conditions^[11] Heating

5. Polymerization hazard^[12] No polymerization p>

6. Decomposition products^[13] Hydrogen bromide

Storage method

Storage Precautions^[14] Store in a cool, ventilated warehouse. Keep away from fire and heat sources. The storage temperature should not exceed 30°C and the relative humidity should not exceed 70%. Keep container tightly sealed. They should be stored separately from oxidants, reducing agents, acids, alkalis, 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 spill treatment equipment and suitable containment materials.

Synthesis method

1. Obtained from bromination of acetic acid and then esterification with methanol. Add glacial acetic acid, acetic anhydride, red phosphorus and several pieces of zeolite into the dry reactor, heat to reflux, and when the temperature rises to 60-70°C, start slowly adding bromine dropwise, and keep it warm for about 1 hour after the addition. Cool and filter, then distill under reduced pressure to obtain bromoacetic acid. Add bromoacetic acid and methanol to carbon tetrachloride, then add sulfuric acid, heat to reflux and dehydrate. After dehydration is completed, steam out the carbon tetrachloride, then add methanol and reflux for 1 hour to recover the methanol. The residue is washed, dried and decompressed. Distillation, that is, the finished product is obtained.

2. In a dry place A condenser, thermometer, separatory funnel, etc. are installed on the flask. Add glacial acetic acid, acetic anhydride, red phosphorus and a few pieces of zeolite, and then reflux on the sand bath. When the temperature reaches 60~70°C, start slowly dripping bromine from the separatory funnel. After adding, keep it warm for 30~60 minutes. Cool and filter, then distill under reduced pressure to obtain bromoacetic acid. Mix carbon tetrachloride, bromoacetic acid, methanol, and sulfuric acid on a sand bath and reflux and dehydrate. After dehydration is completed, the carbon tetrachloride is evaporated, and then methanol is added and refluxed for 1 hour. The methanol is recovered. After the residue is washed and dried, reduce the Pressure distillation to obtain the finished product. The process reaction formula is:

Purpose

Used in the synthesis of herbicides, and also used as intermediates in the manufacture of dyes and pharmaceuticals. ^[15]

Atropine sulfate

Structural formula

Business number	016V
Molecular formula	C34H48N2O10S
Molecular weight	676.8
label	(8-Methyl-8-azabicyclo[3.2.1]oct-3-yl) 3-hydroxy-2-phenyl-propionate sulfate, Atropine sulfate, Atropine sulfate

Numbering system

CAS number:55-48-1

MDL number:None

EINECS number:200-235-0

RTECS number:None

BRN number:None

PubChem number:24860195

Physical property data

1. Characteristics: colorless crystal or White crystalline powder. Odorless. Very bitter taste. Weather in dry air. Highly toxic.

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): Not determined

7. Refractive index: Undetermined

8. Flashpoint (ºC): Undetermined

9. Specific 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 (water): undetermined

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

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

19. Solubility: 1g Dissolved in 0.4ml water , 2.5mlboiling ethanol, 5mlethanol, 2.5mlglycerol, 420mlchloroform, 3000mlether.

Toxicological data

None

Ecological data

None

Molecular structure data

None

Compute chemical data

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

2. Number of hydrogen bond donors: 4

3. Number of hydrogen bond acceptors: 12

4. Number of rotatable chemical bonds: 10

5. Number of tautomers:

6. Topological molecular polar surface area (TPSA):174

7. Number of heavy atoms: 47

8. Surface charge: 0

9. Complexity: 434

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. The number of uncertain atomic stereocenters: 6

13. Determine the number of stereocenters of chemical bonds: 0

14. Uncertain number of chemical bond stereocenters: 0

15. Number of covalent bond units: 3

Properties and stability

None

Storage method

Save in sealed and protected form.

Synthesis method

None

Purpose

Biochemical research. Used for post-holiday anticholinergic drugs; visceral colic and rescue of infection, toxic shock and organophosphorus pesticide poisoning.

1,3-dimethylurea

Structural formula

Business number	02AX
Molecular formula	C3H8N2O
Molecular weight	88.11
label	N,N’-Dimethylurea, N,N′-Dimethylurea, (CH3NH)2CO

Numbering system

CAS number:96-31-1

MDL number:MFCD00008286

EINECS number:202-498-7

RTECS number:YS9868000

BRN number:1740672

PubChem ID:None

Physical property data

1. Character: white crystal

2. Density (g/mL, 20℃): 1.142

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

4. Melting point (ºC): 106

5. Boiling point (ºC, normal pressure): 268-270

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

7. Refractive index: Not determined

8. Flash point (ºC): 157

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) partition coefficient: Undetermined

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

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

19. Solubility: soluble in water, ethanol , acetone, benzene and ethyl acetate, etc., are insoluble in ether and gasoline.

Toxicological data

1. Acute toxicity: rat LD50: >2mg/kg; mouse intraperitoneal LDLo: 4962mg/kg;

2. Reproductive toxicity

Rat oral TDLo : 2mg/kg (12 days after conception in female rats); Oral TDLo in mice: 2mg/kg (10 days after conception in female rats);

3. Mutagenicity

Chlamydia Gene mutation: 400mmol/L;

DNA suppression of human lymphocytes: 40mmol/L;

Ecological data

General remarks

Water hazard class 1 (German Regulation) (self-assessment via list) The substance is slightly hazardous to water.

Do not allow undiluted or large quantities of product to come into contact with groundwater, waterways or sewage systems.

Even extremely small amounts of product seeping into the ground can be dangerous to drinking water

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

Molecular structure data

1. Molar refractive index: 23.16

2. Molar volume (cm³/mol): 92.8

3. Isotonic specific volume (90.2K ): 212.4

4. Surface tension (dyne/cm): 27.4

5. Polarizability (10-24cm3): 9.18

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: 1

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: 2

6. Topological molecule polar surface area 41.1

7. Number of heavy atoms: 6

8. Surface charge: 0

9. Complexity: 46.8

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 oxides.

2.This product is slightly toxic. Packed in paper bags, 45kg per bag. Store and transport as general chemicals.

Storage method

Store in a cool, ventilated warehouse. Keep away from fire and heat sources. Keep container tightly sealed. should be kept away from oxidizer, do not store together. Equipped with the appropriate variety and quantity of fire equipment. The storage area should be equipped with emergency spill treatment equipment and suitable containment materials.

Synthesis method

Purpose

Pharmaceutical intermediates, also used in the production of fiber treatment agents. It is used in medicine to synthesize theophylline, caffeine and nifekaran hydrochloride.

N-(2-chloroethyl)dibenzylamine hydrochloride

Structural formula

Business number	016U
Molecular formula	C16H18ClN·HCl
Molecular weight	296.23
label	Dibenzylaminoethane chloride hydrochloride

Numbering system

CAS number:55-43-6

MDL number:MFCD00012518

EINECS number:200-234-5

RTECS number:HQ6825000

BRN number:None

PubChem number:24857529

Physical property data

1. Character:White crystalline powder.

2. Density (g/mL,25/4℃): 1.250

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

4. Melting point (ºC): SPAN>192

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

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

7. Refractive index: Undetermined

8. Flashpoint (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 water) partition coefficient: Undetermined

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

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

19. Solubility:Stable in acidic solutions, but rapidly destroyed in neutral or alkaline solutions. Soluble in dilute acid, 95%Ethanol and propylene glycol are almost insoluble in water.

Toxicological data

1, acute toxicity: mouse abdominal cavity LD50: 75mg/kg; mouse subcutaneous LD50: 400mg/kg; mouse intravenousLD50: 50mg/kg; Feline vein LDLo: 35mg/kg

Ecological data

None

Molecular structure data

5. Molecular property data:

1. Molar refractive index:78.12

2. Molar volume (m³/mol）：234.6

3. isotonic specific volume (90.2K):599.7

4. Surface Tension (dyne/cm):42.7

5. Polarizability（10^-24cm³): 30.97

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: 6

5. Number of tautomers: none

6. Topological molecule polar surface area 3.2

7. Number of heavy atoms: 19

8. Surface charge: 0

9. Complexity: 187

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.NoDetermine the number of stereocenters of chemical bonds: 0

15. The number of covalent bond units: 2

Properties and stability

None

Storage method

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

Synthesis method

None

Purpose

For biochemical research. medicine.

Xanthene

Structural formula

Business number	025A
Molecular formula	C13H10O
Molecular weight	182.22
label	xanthenes, Dibenzo-γ-pyran, 10H-9-Oxaanthracene, 9H-Xanthene

Numbering system

CAS number:92-83-1

MDL number:MFCD00005055

EINECS number:202-194-4

RTECS number:ZD5520000

BRN number:133939

PubChem number:24902135

Physical property data

1. Properties: White fine crystals.

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

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

4. Melting point (ºC): 100.5

5. Boiling point (ºC, normal pressure): 310~312℃ (sublimation at 315℃)

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

7. Refractive index: Not determined

8. Flash point (ºC): Not determined

9. Specific 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. Log value of oil-water (octanol/water) partition coefficient: Undetermined

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

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

19. Solubility: Soluble in ether , benzene, acetic acid, chloroform and petroleum, slightly soluble in ethanol, insoluble in water.

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 55.40

2. Molar volume (cm³/mol): 157.1

3. Isotonic specific volume (90.2K ): 411.3

4. Surface tension (dyne/cm): 47.0

5. Polarizability (10-24cm3): 21.96

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 3.5

2. Number of hydrogen bond donors: 0

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 9.2

7. Number of heavy atoms: 14

8. Surface charge: 0

9. Complexity: 181

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain atoms�Number of 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

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

Synthesis method

None

Purpose

Organic Synthesis.

phenazine

Structural formula

Business number	0259
Molecular formula	C12H8N2
Molecular weight	180.21
label	anthracene, Dibenzo[b,e]pyrazine

Numbering system

CAS number:92-82-0

MDL number:MFCD00005023

EINECS number:202-193-9

RTECS number:SG1360000

BRN number:126500

PubChem number:24887204

Physical property data

1. Character:Colorless or light yellow needle-shaped crystal

2. Density (g/mL,25/4℃): Undetermined

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

4. Melting point (ºC): 171

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

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 water) partition coefficient: Undetermined

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

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

19. Solubility:Almost insoluble in water, slightly soluble in ethanol, ether and benzene, soluble in inorganic acids to form a yellow to red solution.

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 58.12

2. Molar volume (m³/mol):144.1

3. isotonic specific volume (90.2K):403.2

4. Surface Tension (dyne/cm):61.2

5. Polarizability（10^-24cm³): 23.04

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: 0

5. Number of tautomers: none

6. Topological molecule polar surface area 25.8

7. Number of heavy atoms: 14

8. Surface charge: 0

9. Complexity: 163

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 kept sealed, cool and dry.

Synthesis method

Aniline vapor can be passed through a red heat pipe, or o-phenylenediamine and catechol can be heated in the pipe, or 2-It is obtained by distillation of aminodiphenylamine and lead monoxide.

Purpose

Mainly used in dyes, medicines, organic synthesis intermediates and biochemicals Research.

2-Butanone oxime

Structural formula

Business number	02AW
Molecular formula	C4H9NO
Molecular weight	87.12
label	2-Butanone oxime, Butanone oxime, Methyl ethyl ketone oxime, Methyl ethyl ketoxime, Methyl ethyl ketone fat, A and B copper oxime, 2-Butanone oxime, MEKO, deoxidizer, Anti-skinning agent

Numbering system

CAS number:96-29-7

MDL number:MFCD00013935

EINECS number:202-496-6

RTECS number:EL9275000

BRN number:1698241

PubChem number:24860083

Physical property data

1. Properties: colorless oily liquid.

2. Density (g/mL, 25/4℃): 0.9232

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

4. Melting point (ºC): -29.5

5. Boiling point (ºC, normal pressure): 152～153

6. Boiling point (ºC, 5.2kPa): Not available Determined

7. Refractive index: 1.4410

8. Flash point (ºC): 60

9. Specific 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. Log value of oil-water (octanol/water) partition coefficient: Undetermined

17. Explosion upper limit (%, V /V): 50

18. Lower explosion limit (%, V/V): 3.1

19. Solubility: miscible with ethanol and ether, soluble in 10 parts of water .

Toxicological data

1. Skin/eye irritation

Standard Draize test: rabbit, eye contact: 100μL, severity of reaction: severe.

1. Acute toxicity: Rat oral LD50: 930mg/kg; Rat inhalation LD50: >50mg/m³/4H; Rat skin contact LD: >2mg/kg; rat subcutaneous LD50: 2702mg/kg; mouse intraperitoneal LD50: 200mg/kg; rabbit dermal LD50: 200μg/kg;

2. Other multiple dose toxicity: large Rat oral TDLo: 6825mg/kg/13W-I; rat inhalation TCLo: 400ppm/6H/4W-I; rat inhalation TCLo: 1000ppm/6H/8W-I; rat subcutaneous TDLo: 14mL/kg/4W-I; TCLo by inhalation in mice: 400ppm/6H/4W-I; TCLo by inhalation in mice: 1000ppm/6H/8W-I;

4. Chronic toxicity/carcinogenicity

Rat inhaled TCLo: 75ppm/6H/26W-I;

5. Mutagenicity

Mouse lymphocyte mutation: 4600mg/L;

Ecological data

This substance is slightly hazardous to water.

Molecular structure data

1. Molar refractive index: 24.51

2. Molar volume (cm³/mol): 96.5

3. Isotonic specific volume (90.2K ): 219.1

4. Surface tension (dyne/cm): 26.5

5. Polarizability (10-24cm3): 9.71

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP): 0.7

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 molecular polar surface area (TPSA): 32.6

7. Number of heavy atoms: 6

8. Surface charge: 0

9. Complexity: 58.6

10. Number of isotope atoms : 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the chemical bond configuration Number of centers: 1

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

Avoid contact with acids and oxides.

Storage method

1. Store in a cool, ventilated warehouse. Keep away from fire and heat sources. Keep container tightly sealed. should be kept away from oxidizer, do not store together.

2. Equip with corresponding varieties and quantities of fire-fighting equipment. The storage area should be equipped with emergency spill treatment equipment and suitable containment materials.

Synthesis method

1. Obtained from the reaction of methyl ethyl ketone and hydroxylamine hydrochloride. It can also be reacted with hydroxylamine sulfate. 2. It is prepared by reacting methyl ethyl ketone, ammonium hydronitride and sulfuric acid as raw materials. The reaction formula is as follows:

Purpose

1. Mainly used as anti-skinning agent and silicone curing agent for alkyd resin coatings. This product is used as an antioxidant to prevent skin formation and is more effective than butyraldehyde oxime and cyclohexanone oxime. 2.Used as deoxidizer in boiler water system. Used as anti-skinning agent and silicone curing agent for alkyd resin coatings.

Fenthion

Structural formula

Business number	016T
Molecular formula	C10H15O3PS2
Molecular weight	278.33
label	O,O-dimethyl-O-[3-methyl-4-(methylthio)phenyl]-phosphorothioate, O,O-Dimethyl-O-[3-methyl-4-(methylthio)phenyl]phosphorothioate, Baycid, Lebaycid, Phenthion Tiguvon, Bai Zhi Tu, fenthion, timesex, fenxapine, Organophosphorus pesticides

Numbering system

CAS number:55-38-9

MDL number:MFCD00055449

EINECS number:200-231-9

RTECS number:TF9625000

BRN number:1974129

PubChem number:24862533

Physical property data

1. Properties: brown liquid. Slightly smell of garlic.

2. Density (g/mL, 25/4℃): 1.250

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

4. Melting point (ºC): 319

5. Boiling point (ºC, normal pressure): 87

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

7. Refractive index: 1.5698

8. Flash point (ºC): Undetermined

9. Specific 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. 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: Easily soluble in methanol, ethanol, ether, acetone and various Other organic solvents, almost soluble in water (55mg/L)

Toxicological data

Toxic acute exposure of male rats to LD50 is 215 mg/kg, and that of female rats is 24Jmg/kg. The acute transdermal LD50 in rats is 330-SOOmg/kg. The maximum allowable dose in the 60-day feeding test in rats was 10 mg/kg. Feeding dogs at a dose of 50 mg/kg for 1 year had no effect on their body weight and food intake. The LC50 for fish is about 1 mg/L (48h). For bees, parasitoids, aphids, etc.The insect is highly poisonous.

Ecological data

None

Molecular structure data

5. Molecular property data:

1. Molar refractive index: 72.23

2. Molar volume (cm³/mol): 221.8

3. Isotonic specific volume (90.2K): 586.5

4. Surface tension (dyne/cm): 48.8

5. Polarizability (10^-24cm³): 28.63

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: 5

4. Number of rotatable chemical bonds: 5

5. Number of tautomers: none

6. Topological molecule polar surface area 85.1

7. Number of heavy atoms: 16

8. Surface charge: 0

9. Complexity: 254

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

Yi Luo is drunk in A, B, Jia, and Er. Toluene, acetone, chlorinated hydrocarbons, fatty oils and other organic solvents are difficult to dissolve in petroleum ether, and their hydrolysis degree in water is 54 – 56mg/L. Industrial products are brown in color and have a special odor. It is relatively stable to light and heat, and is more stable than methyl parathion when hydrolyzed in acidic or alkaline media. At 100′, in pH value 1.8~5 medium, the hydrolysis half-life is 36h, in pH value 11 medium, the hydrolysis half-life is 95min. Hydrogen or potassium permanganate can oxidize the thioether chain to generate the corresponding subsulfa and sulfa compounds.

Storage method

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

Synthesis method

The intermediate p-methylthio m-cresol is prepared by reacting m-cresol with dimethyl disulfide, and then reacted with O, O-dimethylthiophosphoryl chloride to obtain fenthion.
1. Preparation of p-methylthio m-cresol. Mix m-cresol (or mixed cresol) and dimethyl disulfide at a ratio of 2:1 (weight ratio), add to the reaction pot, stir and cool to 10- 15℃, start adding concentrated sulfuric acid dropwise. Complete the dripping in about 1 hour (the amount is equal to the weight of dimethyl disulfide), and continue the reaction at 10-15°C for 3 hours. Let stand and separate into layers, discarding the waste acid in the lower layer. The organic layer was neutralized with 10% sodium carbonate solution, and then washed with water at pH 7-8. Recover unreacted dimethyl disulfide and cresol through vacuum distillation, and the remaining material is the intermediate p-methylthio-m-cresol.
2. Preparation of fenthion Add 20% sodium hydroxide solution to the reaction pot, stir and cool to below 25°C, add the intermediate prepared above, and then add O, O- evenly at 10-20°C Dimethyl thiophosphoryl chloride should be dripped in about 30-40 minutes. The molar ratio of the three materials is 1.3:1:1.2. Slowly raise the temperature to 60°C and keep it warm for 2 hours. Check the pH changes during the reaction. When the pH is <9, sodium hydroxide solution should be added. After the reaction is completed, the temperature is lowered to 45°C, washed with sodium hydroxide solution, then washed with water, and left to stand for layering. The lower organic layer was removed and dehydrated under reduced pressure, cooled, and filtered to obtain fenthion crude oil with a content of 90% and a yield of 90%.

Purpose

1. Pesticides, insecticides, acaricides. Cholinesterase inhibitors. Organic Synthesis. Fenthion is an organophosphorus insecticide with low toxicity to humans and livestock. It is effective against a variety of pests. It mainly acts as a stomach poison for contact killing. It has a long residual effect. It is not as effective against mites as methyl parathion. It is mainly used for prevention and control. It has good effect on soybean borers, cotton pests, fruit tree pests, vegetable and rice pests, and is used to control mosquitoes, flies, bedbugs, lice, and cockroaches. 2.A broad-spectrum, fast-acting, toxic organophosphorus insecticide that is also effective against mites. It has contact and stomach poisoning effects, strong permeability, certain systemic effects, and long residual effect. It can be used to control rice, cotton, fruit trees, soybeans and other crops to control stem borer, stem borer, rice leafhopper, rice bractworm, rice leafroller, pink bollworm, cotton bollworm, cotton aphid, cabbage caterpillar, and vegetable aphids. , fruit tree borers, scale insects, citrus rust ticks, web bugs, tea poisonous moths, tea green leafhoppers, soybean borers and sanitary pests. For example, to control rice pests, cotton bollworm and pink bollworm, use 50%, EC 11.3~15m Work_/100m² Spray water; to control cotton spider mites, cotton aphids, vegetable aphids, vegetable aphids and other pests, use 50%, EC 7.5～11 .3mL/100mL/m² Spray with water; to control cotton spider mites, cotton aphids, cabbage aphids, vegetable aphids and other pests, use 50 “/t, EC 7.5~11 .3mL/100mL/m² Spray with water; to control large heartworms, use 50%, EC 7.5～11.3mL/100mL/m^2, Spray with water, the effect is 80 0/t, or above, or use 3%, Powder, 225~300kg/100² spray powder; 50 for controlling citrus rust tick and clam weevil, EC Sichuan Yin Liquid spray