2-chloro-3-cyano-4-methoxypyridine is used for organic synthesis.
Density 1.3±0.1 g/cm3
Boiling point 318.3±37.0 °C at 760 mmHg
Molecular formula C7H5ClN2O
Molecular weight 168.580
Flash point 146.3±26.5 °C
Exact quality 168.009033
PSA 45.91000
LogP 1.94
Vapor pressure 0.0±0.7 mmHg at 25°C
Refractive index 1.550
Storage conditions
Sealed storage, store in a cool, dry warehouse. Keep away from oxidants.
Stability
Stable under normal temperature and pressure, avoid contact with strong oxidants.
Computational Chemistry
1. Reference value of hydrophobic parameter calculation (XlogP): 1.5
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 3
4. Number of rotatable chemical bonds: 1
5. Number of tautomers: none
6. Topological molecular polar surface area 45.9
7. Number of heavy atoms: 11
8. Surface charge: 0
9. Complexity: 177
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. Uncertain number of chemical bond stereocenters: 0
15. Number of covalent bond units: 1
More
1. Properties: powder
2. Density (g/mL, 25℃): Not determined
3. Relative vapor density (g/mL, air=1): Not determined
4. Melting point (ºC): not determined
5. Boiling point (ºC, normal pressure): not determined
6. Boiling point (ºC, 1mmHg): not determined
7. Refractive index (n20/D): not determined
8. Flash point (ºC): Not determined
9. Specific rotation (º): not determined
10. Spontaneous ignition point or ignition temperature (ºC): not determined
11. Vapor pressure (mmHg, 20ºC): Not determined
12. Saturated vapor pressure (kPa, 25ºC): Not determined
13. Heat of combustion (KJ/mol): Not determined
14. Critical temperature (ºC): not determined
15. Critical pressure (KPa): Not determined
16. Logarithm of oil-water (octanol/water) partition coefficient: not determined
17. Upper explosion limit (%, V/V): Not determined
18. Lower explosion limit (%, V/V): Not determined
19. Solubility: Not determined