Pyrazinecarboxylic Acid Pyrazinecarboxylic Acid
Structural formula
| Business number | 02EY |
|---|---|
| Molecular formula | C5H4N2O2 |
| Molecular weight | 124.1 |
| label |
2-pyrazinecarboxylic acid, Pyrazine-2-carboxylic acid, Pyrazine-2-carboxylic acid, 2-Pyrazinecarboxylic acid, Pyrazinemonocarboxylic acid |
Numbering system
CAS number:98-97-5
MDL number:MFCD00006130
EINECS number:202-718-1
RTECS number:None
BRN number:112305
PubChem number:24887929
Physical property data
1. Properties: White needle-like crystals.
2. Density (g/mL, 25℃): Undetermined
3. Relative vapor density (g/mL, air=1): Undetermined
4. Melting point (ºC): 225℃ (decomposition)
5. Boiling point (ºC, normal pressure): Undetermined
6. Boiling point (ºC, 30mmHg): Undetermined Determined
7. Refractive index: Undetermined
8. Flash point (ºC): Undetermined
9. Specific rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Not determined
11. Vapor pressure (mmHg, 20ºC): Not determined
12. Saturation Vapor pressure (kPa, ºC): 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: soluble in hot water, insoluble in ether, Chloroform, benzene, etc.
Toxicological data
None yet
Ecological data
This substance is slightly hazardous to water.
Molecular structure data
1. Molar refractive index: 29.36
2. Molar volume (cm3/mol): 88.4
3. Isotonic specific volume (90.2K ): 257.6
4. Surface tension (dyne/cm): 72.1
5. Dielectric constant:
6. Dipole moment (10-24cm3):
7. Polarizability: 11.64
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: 4
4. Number of rotatable chemical bonds: 1
5. Number of tautomers: none
6. Topological molecule polar surface area 63.1
7. Number of heavy atoms: 9
8. Surface charge: 0
9. Complexity: 116
10. Isolocation��Number of atoms: 0
11. Determined number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 0
13. Determined number of stereocenters of chemical bonds: 0
14. Number of uncertain stereocenters of chemical bonds: 0
15. Number of covalent bond units: 1
Properties and stability
Avoid contact with acids, oxidants, reducing agents, and alkalis.
Storage method
Store in a cool, ventilated warehouse. Keep away from fire and heat sources. Keep container tightly sealed. They should be stored separately from acidic substances, reducing agents and alkalis, and avoid mixed storage. Equipped with the appropriate variety and quantity of fire equipment. The storage area should be equipped with emergency release equipment and suitable containment materials.
Synthesis method
It can be obtained by thermal decomposition of 2,3-pyrazinedicarboxylic acid, or by oxidation of alkylpyrazine.
Purpose
Intermediates of pyrithione.
