2,3-pyridinedicarboxylic 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:89-00-9

MDL number:MFCD00006295

EINECS number:201-874-8

RTECS number:US7967250

BRN number:137110

PubChem number:24853597

Physical property data

1. Properties: white prismatic crystals (water), decomposes when heated.

2. Density (g/mL, 25/4℃): 1.59

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

4. Melting point (ºC): 188℃, 190-195℃ (decomposition),

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

6. Boiling point (ºC, 5.2kPa): Not determined

7. Refractive index: Not determined

8. Flash point (ºC): Not determined

9. Ratio Optical rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (kPa, 25ºC): Undetermined

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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. Explosion lower limit (%, V/V): Undetermined

19. Solubility: soluble Soluble in water and alkaline solution, slightly soluble in ethanol, insoluble in ether and benzene.

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 38.20

2. Molar volume (cm³/mol): 107.7

3. Isotonic specific volume (90.2K ): 325.6

4. Surface tension (dyne/cm): 83.5

5. Polarizability (10-24cm3): 15.14

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 0.2

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 5

4. Rotatable chemistry��Number: 2

5. Number of tautomers: None

6. Topological molecule polar surface area 87.5

7. Number of heavy atoms: 12

8. Surface charge: 0

9. Complexity: 204

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

Prepared by oxidation of quinoline with nitric acid.

Purpose

Intermediates of nicotinic acid, nicotinamide, nicotinic acid amide, etc., and also reagents for copper ion determination.