5-Amino-2-chlorobenzoic acid

Structural formula

• Numbering system
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

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.