2-Cyanopyridine 2-Cyanopyridine
Structural formula
| Business number | 02JJ |
|---|---|
| Molecular formula | C6H4N2 |
| Molecular weight | 104.11 |
| label |
2-Pyridinemethylchlorine, 2-cyanopyridine, 2-Pyridinecarboxylic acid,Nitrile, 2-Pyridyl Nitrile, 2-Pyridylnitrile, Cyanopyridine(2-), Akos Bbs-00004280, 2-Cyanopyridine, 2-Pyridinecarbonitrile, 2-Picolinonitrile |
Numbering system
CAS number:100-70-9
MDL number:MFCD00006218
EINECS number:202-880-3
RTECS number:None
BRN number:107710
PubChem ID:None
Physical property data
1. Character: white to light yellow crystal at low temperature
2. Density (g/mL, 20℃): 1.081
3. Relative vapor density (g/ mL, air=1): Undetermined
4. Melting point (ºC): 26-28
5. Boiling point (ºC, normal pressure): 212-215
6. Boiling point (ºC, KPa): Undetermined
7. Refractive index (nD20): 1.5288
8. Flash point ( ºC): 89
9. Specific rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): 193
11 . Vapor pressure (mmHg, ºC): Undetermined
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. Oil and water (octanol/water) Log value of distribution coefficient: Undetermined
17. Explosion upper limit (%, V/V): Undetermined
18. Explosion lower limit (%, V/V): Undetermined
19. Solubility: Insoluble in water
Toxicological data
1. Acute toxicity: Rat oral LD5O: 960mg/kg
Ecological data
This substance is slightly hazardous to water.
Molecular structure data
1. Molar refractive index: 29.11
2. Molar volume (cm3/mol): 92.8
3. Isotonic specific volume (90.2K ): 248.5
4. Surface tension (dyne/cm): 51.4
5. Dielectric constant:
6. Dipole moment (10-24cm3):
7. Polarizability: 11.54
planCompute 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 36.7
7. Number of heavy atoms: 8
8. Surface charge: 0
9. Complexity: 111
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
Avoid contact with oxidants.
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. Keep sealed. Store in dark place. Use explosion-proof lighting and ventilation facilities. It is prohibited to use mechanical equipment and tools that are prone to sparks. The storage area should be equipped with emergency release equipment and suitable containment materials.
Synthesis method
None yet
Purpose
Pharmaceutical and pesticide intermediates, used in organic synthesis.
