2-amino-4-chlorophenol

2-amino-4-chlorophenol structural formula

Structural formula

Business number 02A1
Molecular formula C6H6ClNO
Molecular weight 143.57
label

5-Chloro-2-hydroxyaniline,

o-amino-p-chlorophenol,

2-amino-4-chlorophenol,

4-Chloro-2-aminophenol,

p-Chloro-o-aminophenol,

2-hydroxy-5-chloroaniline,

4-Chloro-2-aminophenol,

5-Chloro-2-hydroxyaniline,

H2NC6H3(Cl)OH,

4-Chloro-2-aminophenol,

p-Chloro-o-aminophenol,

5-Chloro-2-hydroxyaniline

Numbering system

CAS number:95-85-2

MDL number:MFCD00007694

EINECS number:202-458-9

RTECS number:SJ5700000

BRN number:774859

PubChem number:24892694

Physical property data

1. Appearance: White flaky crystal

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

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

4. Melting point (ºC): 140~141

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 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: Easily soluble in hot water, soluble in ethanol, ether, dilute acid and dilute alkali.

Toxicological data

1. Acute toxicity: Rat oral LD50: 690mg/kg; Mouse oral LD50: 1030mg/kg;

2. Mutagenicity

Microbial typhoid fever Salmonella mutation: 333?g/plate;

Ecological data

None yet

Molecular structure??Data

1. Molar refractive index: 37.26

2. Molar volume (cm3/mol): 102.0

3. Isotonic specific volume (90.2K ): 283.9

4. Surface tension (dyne/cm): 59.8

5. Dielectric constant:

6. Dipole moment (10-24cm3):

7. Polarizability: 14.77

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: 5

6. Topological molecule polar surface area 46.2

7. Number of heavy atoms: 9

8. Surface charge: 0

9. Complexity: 99.1

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. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

1. It is irritating to the eyes, respiratory system and skin. Wear appropriate protective clothing if used in large quantities.

Storage method

Seal, dry, and store away from light.

Synthesis method

1.2-Nitro-p-chlorophenol sodium sulfide reduction method is obtained by nitrification and reduction of p-chlorophenol.

2. Hydrogenation reduction method of 2-nitro-p-chlorophenol 300g of 2-nitro-p-chlorophenol in a water-soluble suspension at a hydrogen pressure of 4.05Mpa and 60?, PH=7 (60? ) conditions, using a nickel catalyst for reduction. The amount of hydrogen is 145L, and the pH is adjusted with 50g of sodium dihydrogen phosphate hydrate and 257.5g of sodium hydroxide (33%) aqueous solution. After the reaction is completed, release the pressure, wash with nitrogen and press it into the receiver, heat to 95°C, adjust pH to 10.7 (95°C) with sodium hydroxide, add activated carbon and diatomaceous earth, stir vigorously, and filter. Adjust the filtrate to pH=5.2 (20°C) with concentrated hydrochloric acid, cool to 0°C, filter and dry. Then it is treated with 4.5g of sodium bisulfite, filtered, and dried. This operation is repeated four times, and then distilled at 2.67kpa. The fractions around 80°C are collected and dried to obtain the product with a yield of 97.7%.

Purpose

Dye intermediates. Used to prepare acid medium RH, acidic complex violet 5RN and reactive dyes, etc. It can also be used to prepare the raw material drug chlorzoxazone.

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o-Amino-p-cresol

Ortho-amino-p-cresol structural formula

Structural formula

Business number 02A0
Molecular formula C7H9NO
Molecular weight 123.15
label

2-amino-4-methylphenol; 3-methyl-6-hydroxyaniline,

Aromatic nitrogen-containing compounds and their derivatives

Numbering system

CAS number:95-84-1

MDL number:MFCD00007699

EINECS number:202-457-3

RTECS number:SJ6078000

BRN number:606494

PubChem number:24848690

Physical property data

1. Properties: white crystals, industrial products are gray-white crystals.

2. Density (g/mL, 20?): Undetermined

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

4. Melting point (ºC): 135~137

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

6. Boiling point (ºC, kPa): Undetermined

7. Refractive index: Undetermined

8. Flash point (ºC): Undetermined

9. Specific rotation (º): Undetermined

p>

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: Easily soluble in ethanol, ether, chloroform and other organic solvents . Slightly soluble in water and benzene. Easily soluble in hot water.

Toxicological data

1. Mutagenicity Microorganism Salmonella typhimurium mutation: 333?g/plate;

Ecological data

This substance is slightly hazardous to water.

Molecular structure data

1. Molar refractive index: 37.19

2. Molar volume (cm3/mol): 106.4

3. Isotonic specific volume (90.2K ): 285.7

4. Surface tension (dyne/cm): 51.9

5. Polarizability (10-24cm3): 14.74

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: 11

6. Topological molecule polar surface area 46.2

7. Number of heavy atoms: 9

8. Surface charge: 0

9. Complexity: 94.9

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 stereocentersNumber of ? bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

Avoid contact with strong oxidants and acids.

Poisonous. Irritating to skin. The equipment in the production site must be sealed and well ventilated. Production operators should wear protective equipment.

Easily oxidized and discolored when exposed to air. Irritating.
?

Storage method

1. Store in a cool, ventilated warehouse. Keep away from fire and heat sources. The packaging is sealed. They should be stored separately from oxidants and acidic substances, 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 or cardboard drums lined with plastic bags. Net weight per barrel is 25kg or 50kg. Store and transport according to general chemical regulations.

Synthesis method

O-nitro-p-cresol is obtained by reduction with alkali sulfide or catalytic hydrogenation. Starting from the nitration of p-cresol, the raw material consumption quota is: p-cresol industrial product 963kg/t, nitric acid (96%) 661kg/t, sulfuric acid (92.5%) 2127kg/t, alkali sulfide (60%) 2425kg/t, soda ash 20kg/ t.

1. Use p-cresol as raw material, prepare a certain concentration of mixed acid with nitric acid and sulfuric acid for nitrification. After the reaction is completed, the waste acid is separated, washed and distilled and reduced with alkali sulfide, and finally the finished product is obtained by acid precipitation, crystallization and drying.

2. Hydrogenation reduction method is the same as method 1, but is carried out in the presence of a catalyst. Hydrogenation reduction is used instead of alkali sulfide reduction.



Purpose

Dye intermediates. Used to prepare polyester fiber fluorescent whitening agent DT and plastic fluorescent whitening agent PF.

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L-cysteine

L-cysteine ??structural formula

Structural formula

Business number 015S
Molecular formula C3H7NO2S
Molecular weight 121.16
label

L-hemibladder amino acid,

L-beta-mercaptoalanine,

L-2-amino-3-mercaptopropionic acid,

L-Hydrosulfide aminopropionic acid,

(R)-2-Amino-3-mercaptopropionic acid,

Thioserine,

Detoxification and anti-inflammatory drugs,

Intermediates

Numbering system

CAS number:52-90-4

MDL number:MFCD00064306

EINECS number:200-158-2

RTECS number:HA1600000

BRN number:1721408

PubChem number:24901592

Physical property data

1. Properties: Colorless crystals, slightly odorous.

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

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

4. Melting point (ºC): 240? (decomposition)

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

6. Boiling point (ºC, 13.33kpa ):

7. Refractive index: Not determined

8. Flash point (ºC): Not determined

9. Specific rotation (º,): 8.75° (c=12, 2N HCl).

10. Autoignition point or ignition temperature (ºC): Not determined

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

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. 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 water, alcohol, ammonia and acetic acid , insoluble in ether, benzene, acetone, ethyl acetate, carbon disulfide and carbon tetrachloride.

Toxicological data

Acute toxicity:

Oral LD50 660mg/kg(mus)

1890mg/kg(rat)

Main irritant effects:

On skin: Irritation to skin and mucous membranes.

On the eyes: Irritation effects.

Sensitization: No known sensitizing effects.

Ecological data

General Notes

Water Hazard Level 1 (German Regulation? (Self-assessment via list) This substance is slightly hazardous to water.

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

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

Molecular structure data

1. Molar refractive index: 28.90

2. Molar volume (cm3/mol): 90.7

3. Isotonic specific volume (90.2K ): 251.5

4. Surface tension (dyne/cm): 58.9

5. Polarizability (10-24cm3): 11.45 p>

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: 2

5. Number of tautomers: none

6. Topological molecule polar surface area 64.3

7. Number of heavy atoms: 7

8. Surface charge: 0

9. Complexity: 75.3

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. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

1. Irritating. Its aqueous solution or slightly alkaline aqueous solution can be oxidized into cystine by air, and the acidic solution is relatively stable. The biochemical reagent content is not less than 98.5%

2. Exists in tobacco leaves.

Storage method

Should be sealed and stored in a dry place away from light.

Synthesis method

1. Tin particle reduction method Dissolve cystine in dilute hydrochloric acid, filter, add tin particles to the filtrate, heat and reflux for 2 hours. Dilute the reducing solution with water, remove the remaining tin particles, add hydrogen sulfide to saturate it, filter it, wash the filter residue with a small amount of water, combine the washing and filtrate, concentrate under reduced pressure, cool and crystallize, filter and dry to obtain L-cysteine ??salt Acid.

2. Electrolytic reduction method Add distilled water, hydrochloric acid, and cystine to the electrolytic tank, stir and dissolve, and maintain the electrolysis below 50°C until the end point. The resulting electrolyte was passed through hydrogen sulfide for several hours and then filtered. The filtrate is decolorized by adding activated carbon, filtered, concentrated under reduced pressure, crystallized by cooling, filtered, and dried to obtain L-cysteine ??hydrochloride.

3. Synthesis: It can be made by hydrolyzing protein (such as human hair) with hydrochloric acid, then treating it with copper oxide, and decomposing it with hydrogen sulfide. It can also be derived from the degradation of cystine.

Purpose

1. Mainly used in medicine, cosmetics, biochemical research, etc. Used in bread ingredients to promote gluten formation, fermentation, mold release, and prevent aging. Used in natural juices to prevent vitamin C from oxidizing and preventing juices from turning brown. This product has detoxification effect and can be used for acrylonitrile poisoning and aromatic acid poisoning. This product also has the function of preventing radiation damage to the human body, and is also a drug for treating bronchitis, especially as a phlegm-reducing drug (mostly used in the form of acetyl L-cysteine ??methyl ester). In cosmetics, it is mainly used in beauty water, Perm liquid, sun protection cream, etc.

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