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 |
CAS number:95-85-2
MDL number:MFCD00007694
EINECS number:202-458-9
RTECS number:SJ5700000
BRN number:774859
PubChem number:24892694
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.
1. Acute toxicity: Rat oral LD50: 690mg/kg; Mouse oral LD50: 1030mg/kg;
2. Mutagenicity
Microbial typhoid fever Salmonella mutation: 333μg/plate;
None yet
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
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
1. It is irritating to the eyes, respiratory system and skin. Wear appropriate protective clothing if used in large quantities.
Seal, dry, and store away from light.
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%.
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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