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Didi Didi

5月 10th, 2024 News

Didi Angstrom Structural Formula

Structural formula

Business number 01TA
Molecular formula C14H10Cl2O2
Molecular weight 281.13
label

Didi Didi Ai,

4-Chloro-?-(4-chlorophenyl)phenylacetic acid,

4-Chloro-?-(4-chlorophenyl)benzeneacetic acid,

Dichlorodiphenylacetic acid

Numbering system

CAS number:83-05-6

MDL number:MFCD00004248

EINECS number:201-451-8

RTECS number:AF5475000

BRN number:1913593

PubChem number:24861829

Physical property data

1. Character:White crystal


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


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


4. Melting point (ºC):167-169


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


6. Boiling point (ºC,5.2kPa): Unsure


7. Refractive index: Uncertain


8. Flashpoint (ºC): Unsure


9. Specific optical rotation (º): Unsure


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


11. Vapor pressure (kPa,25ºC): Unsure


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


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


14. Critical temperature (ºC): Unsure


15. Critical pressure (KPa): Unsure


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


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


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


19. Solubility: Uncertain

Toxicological data

1, acute toxicity:


Rat caliber LD50: 740 mg/kg; mouse caliber LD50 ?5900 mg/kg


2, reproductive toxicity


Rat caliber TDL0: 250 mg/kg, pregnant 15-19 Queen of days; rat caliber TDL0: 350 mg/kg, mating 7 Queen of Heaven;


3, teratogenicity


Drosophila caliber3700 umol/ L; rat caliber 150 mg/L/24H

Ecological data

None yet

Molecular structure data

1. Molar refractive index ?71.55

2. Molar volume (m3/mol??204.6


3. isotonic specific volume (90.2K):550.3


4. Surface Tension (dyne/cm):52.3


5. Polarizability?10-24cm3):28.36


Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP): 4.5


2. Number of hydrogen bond donors:1


3. Number of hydrogen bond acceptors:2


4. Number of rotatable chemical bonds:3


5. Topological molecular polar surface area (TPSA): 37.3


6. Number of heavy atoms: 18


7. Surface charge:0


8. Complexity:258


9. Isotopes Number of atoms:0


10. OK Number of atomic stereocenters:0


11. No Determine the number of atomic stereocenters:0


12. OK Number of stereocenters of chemical bonds:0


13. Uncertain number of stereocenters of chemical bonds:0


14. Total Number of price key units:1

Properties and stability

None yet

Storage method

Should be sealed, dry and protected from light.

Synthesis method

None yet

Purpose

Pesticide residue Quantitative analysis standards.

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2-amino-4-chlorophenol

5月 10th, 2024 News

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

5月 10th, 2024 News

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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