2,5-Pyridinedicarboxylic Acid 2,5-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:100-26-5

MDL number:MFCD00006297

EINECS number:202-834-2

RTECS number:None

BRN number:131697

PubChem number:24888040

Physical property data

1. Properties: light brown leaf-like or prismatic crystals.

2. Density (g/mL, 20℃): Undetermined

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

4 . Melting point (ºC): 2545. Boiling point (ºC, normal pressure): Undetermined

6. Boiling point (ºC, 0.6mmHg): Undetermined

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 (mmHg, 20ºC): Undetermined

12. Saturated vapor pressure (kPa, ºC): Undetermined

13 . Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Logarithmic 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: Slightly soluble in boiling water and boiling ethanol, almost insoluble in cold water, ethanol, ether and benzene.

Toxicological data

None yet

Ecological data

This substance is slightly hazardous to water.

Molecular structure data

1. Molar refractive index: 38.20

2. Molar volume (cm³/mol): 107.7

3. Isotonic ratio�� (90.2K): 325.6

4. Surface tension (dyne/cm): 83.5

5. Dielectric constant:

6. Dipole moment (10^-24cm³):

7. Polarizability: 15.14

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP): 0.2

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 5

4. Number of rotatable chemical bonds: 2

5. Number of tautomers:

6. Topological molecular polar surface area (TPSA): 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 Number: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

Avoid contact with strong oxidizing agents.

Storage method

Store in a cool, ventilated warehouse. Keep away from fire and heat sources. should be kept away from oxidizer, do not store together. Equipped with the appropriate variety and quantity of fire equipment. Suitable materials should be available in the storage area to contain spills.

Synthesis method

None yet

Purpose

Manufacture of niacin. Intermediates such as pesticides and fuels.