2-Cyanopyridine 2-Cyanopyridine

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:100-70-9

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.