2,3-pyridinedicarboxylic acid
Structural formula
| Business number | 020B |
|---|---|
| Molecular formula | C7H5NO4 |
| Molecular weight | 167 |
| label |
Pyridine-2,3-dicarboxylic acid, quinolinic acid, Quinolinic acid, Pyridine-2,3-dicarboxylic acid |
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.
