o-iodobenzoic 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:88-67-5

MDL number:MFCD00002419

EINECS number:201-850-7

RTECS number:DH2975000

BRN number:1861406

PubChem number:24866223

Physical property data

1. Properties: White or slightly colored needle-like crystals or crystalline powder

2. Density (g/mL, 25/4℃): 2.249

3 . Relative density (20℃, 4℃): 2.25

4. Melting point (ºC): 163

5. Boiling point (ºC, normal pressure): 233(exp)

6. Crystal phase standard claims heat (enthalpy) (kJ·mol^-1): -302.3

7. Refractive index: Undetermined

8. Flash point (ºC): Not determined

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. The logarithmic value of the oil-water (octanol/water) partition coefficient: Undetermined

17. The upper explosion limit (%, V/V): Undetermined

18. The lower explosion limit (%, V/V): Undetermined

19. Solubility: Soluble in ethanol, ether and alkali solutions, slightly soluble in water.

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 46.08

2. Molar volume (cm³/mol): 124.0

3. Isotonic specific volume (90.2K ): 319.8

4. Surface tension (dyne/cm): 59.8

5. Polarizability (10-24cm3): 18.27

Compute chemical data

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

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: none

6. Topological molecule polar surface area 37.3

7.Number of heavy atoms��:10

8. Surface charge: 0

9. Complexity: 136

10. Number of isotope atoms: 0

11. Determine the number of stereocenters of atoms: 0

12. Determine the number of stereocenters of atoms: 0

13. Determine the number of stereocenters of chemical bonds: 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 sealed and stored in a cool, dark place.

Synthesis method

1. Obtained from diazotization and replacement of anthranilic acid. Diazotize anthranilic acid with sodium nitrite in the presence of sulfuric acid, control the temperature below 10°C, filter the diazo liquid, add a mixture of potassium iodide and sulfuric acid, stir for 10 minutes after addition, and boil. Filter, wash with sodium thiosulfate solution, and then recrystallize with water to obtain the finished product. The process reaction formula is:

Purpose

1. Standard for determination of iodine by organic trace analysis. Organic Synthesis. ​​

2. Used for the determination of trace iodine and the standard for analyzing iodine.