anthranilic 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:88-21-1

MDL number:MFCD00007705

EINECS number:201-810-9

RTECS number:DB4727700

BRN number:1309204

PubChem number:24891357

Physical property data

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

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

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

4. Melting point (ºC): >300

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

6. Boiling point (ºC, 5.2kPa): Undetermined Determined

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. 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 concentrated hydrochloric acid, slightly soluble in water , insoluble in ethanol and ether.

Toxicological data

The raw material aniline is highly toxic, and chlorosulfonic acid is a first-level acidic corrosive product.

Ecological data

None yet

Molecular structure data

1. Molar refractive index: 40.71

2. Molar volume (cm³/mol): 114.4

3. Isotonic specific volume (90.2K ): 328.2

4. Surface tension (dyne/cm): 67.5

5. Polarizability (10-24cm3): 16.14

Compute chemical data

1. Reference value for calculation of hydrophobic parameters (XlogP): None

2. Hydrogen��Number of donors: 2

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 1

5. Mutator variation Number of conformers: None

6. Topological molecule polar surface area 88.8

7. Number of heavy atoms: 11

8. Surface charge: 0

9. Complexity: 219

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. The number of uncertain stereocenters of atoms: 0

13. The number of determined stereocenters of chemical bonds: 0

14. The number of uncertain stereocenters of chemical bonds: 0

15. Number of covalent bond units: 1

Properties and stability

None yet

Storage method

The raw material aniline is highly toxic, and chlorosulfonic acid is a first-level acidic corrosive. Equipment should be sealed. The hydrogen chloride produced by the reaction should be absorbed by water, and the operator should wear labor protection supplies.

Packed in iron drums lined with plastic bags and stored in a cool, ventilated and dry warehouse to prevent heat and moisture.

Synthesis method

1. O-chloronitrobenzene method o-chloronitrobenzene reacts with sodium polysulfide to generate persulfide, which is then oxidized with sodium hypochlorite to generate sulfonyl chloride. After hydrolysis, the iron powder reduces the nitro group to obtain the product.

2. Aniline method: aniline and chlorosulfonic acid are sulfonated to obtain anthranilic acid.

Purpose

Reactive dye intermediates. Used for reactive brilliant red K-2B, brilliant red K-2BP, brilliant red K-2G, brilliant red M-2B, brilliant red X-B, brilliant red X-10B, reactive purple K-3R, etc.