3-Chloro-2,5-dimethylpyrazine 3-Chloro-2,5-dimethylpyrazine
Structural formula
| Business number | 02A4 |
|---|---|
| Molecular formula | C6H7ClN2 |
| Molecular weight | 142.59 |
| label |
3-Chloro-2,5-dimethyl-1,4-diazine, 3-Chloro-2,5-dimethylpiazine, 3-Chloro-2,5-dimethylpyrazine, 2,5-Dimethyl-3-chloropyrazine |
Numbering system
CAS number:95-89-6
MDL number:MFCD00006143
EINECS number:202-463-6
RTECS number:UQ2462000
BRN number:None
PubChem number:24892646
Physical property data
1. Properties: Undetermined
2. Density (g/mL, 25℃): 1.181
3. Relative vapor density (g/mL, air=1) : Undetermined
4. Melting point (ºC): 1.527
5. Boiling point (ºC, normal pressure): Undetermined
6. Boiling point (ºC, 18mmHg): Not determined
7. Refractive index: 1.527
8. Flash point (ºC): Not determined
9. Specific rotation (º) : Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (mmHg,ºC): 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. 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: Undetermined
Toxicological data
None
Ecological data
None
Molecular structure data
1. Molar refractive index: 36.98
2. Molar volume (cm3/mol): 120.3
3. Isotonic specific volume (90.2K ): 306.7
4. Surface tension (dyne/cm): 42.1
5. Polarizability (10-24cm3): 14.66
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 2
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: none
6. Topological molecule polar surface area 25.8
7. Number of heavy atoms: 9
8. Surface charge: 0
9. Complexity: 97.1
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
None
Synthesis method
None
Purpose
None
