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:88-97-1

MDL number:MFCD00025476

EINECS number:201-871-1

RTECS number:None

BRN number:1868205

PubChem number:24879599

Physical property data

1. Properties: prismatic crystal.

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

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

4. Melting point (ºC): 148～149

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 Determined

10. Autoignition point or ignition temperature (ºC): Not determined

11. Vapor pressure (kPa, 25ºC): Not determined

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: When heated to 155°C, it becomes xylenedimethyl Amide. Slightly soluble in ethanol and hot water, slightly soluble in ether and benzene, insoluble in petroleum.

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 42.11

2. Molar volume (cm³/mol): 120.6

3. Isotonic specific volume (90.2K ): 343.8

4. Surface tension (dyne/cm): 65.9

5. Polarizability (10-24cm3): 16.69

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP): 0.1

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 3

4. Can be rotatedNumber of bonds: 2

5. Number of tautomers: 2

6. Topological molecular polar surface area (TPSA): 80.4

7. Number of heavy atoms: 12

8, Surface charge: 0

9, Complexity: 203

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

None

Storage method

This product should be kept sealed.

Synthesis method

None

Purpose

Organic Synthesis. ​