5-Amino-2-chlorobenzoic acid
Structural formula
| Business number | 020T |
|---|---|
| Molecular formula | C7H6ClNO2 |
| Molecular weight | 171.58 |
| label |
2-Chloro-5-aminobenzoic acid, 2-Chloro-5-Aminobenzoic Acid, H2NC6H3(Cl)CO2H |
Numbering system
CAS number:89-54-3
MDL number:MFCD00007845
EINECS number:201-916-5
RTECS number:None
BRN number:2090422
PubChem number:24877888
Physical property data
1. Properties: needle-like crystals.
2. Density (g/mL, 25/4℃): Undetermined
3. Relative vapor density (g/mL, air=1): Undetermined
4. Melting point (ºC): 188
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. Lower explosion limit (%, V/V): Undetermined
19. Solubility: Soluble in water and ethanol.
Toxicological data
None
Ecological data
None
Molecular structure data
1. Molar refractive index: 42.31
2. Molar volume (cm3/mol): 116.1
3. Isotonic specific volume (90.2K ): 331.1
4. Surface tension (dyne/cm): 65.9
5. Polarizability (10-24cm3): 16.77
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: 3
4. Number of rotatable chemical bonds: 1
5. Number of tautomers: none
6. Topological molecule polar surface area 63.3
7. Number of heavy atoms: 11
8. Surface charge: 0
9. Complexity:163
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
This product should be kept sealed.
Synthesis method
Originated from the reduction of 2-chloro-5-nitrobenzoic acid. Add 2-chloro-5-nitrobenzoic acid to the reducing solution prepared from hydrochloric acid, water, and iron powder. After reduction, add sodium hydroxide to turn it into sodium salt. Filter out the iron slag and wash the filter residue with hot water. , combine the filtrate and washing liquid, use activated carbon to decolorize, add hydrochloric acid to the clear filtrate obtained after filtration, and filter to obtain the product.
Purpose
Intermediates for anti-halation dyes.
