2-Benzylpyridine 2-Benzylpyridine
Structural formula
| Business number | 02L5 |
|---|---|
| Molecular formula | C12H11N |
| Molecular weight | 169.22 |
| label |
2-Benzylpyridine, 2-(phenylmethyl)pyridine, 2-Benzylpyridine, 2-Phenylpyridylmethane, 2-(Phenylmethyl)Pyridine |
Numbering system
CAS number:101-82-6
MDL number:MFCD00006352
EINECS number:202-979-1
RTECS number:US2620000
BRN number:115875
PubChem number:24891680
Physical property data
1. Properties: yellow liquid or needle-like crystals.
2. Density (g/mL, 20℃): 1.054
3. Relative vapor density (g/mL, air=1): Undetermined
4. Melting point (ºC): 10
5. Boiling point (ºC, normal pressure):
6. Boiling point (ºC, 98.92kPa): 276
7. Refractive index: 1.579
8. Flash point (ºC): 125
9. Specific rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Not determined
11. Vapor pressure (mmHg, ºC): Not determined
12. Saturated vapor pressure (kPa, 25ºC): Not determined Determined
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: Insoluble in water, miscible in ethanol and ether.
Toxicological data
Acute toxicity: mouse subcutaneous LD50: 1500mg/kg;
Ecological data
This substance is harmful to the environment and it is recommended not to let it enter the environment. Special attention should be paid to the pollution of water bodies.
Molecular structure data
1. Molar refractive index: 53.65
2. Molar volume (cm3/mol): 162.0
3. Isotonic specific volume (90.2K ): 412.4
4. Surface tension (dyne/cm): 41.9
5. Dielectric constant:
6. Dipole moment (10-24cm3):
7. Polarizability: 21.27
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 2.8
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 1
4. Number of rotatable chemical bonds: 2
5. Number of tautomers: none
6. Topological molecule polar surface area 12.9
7.Chongyuan���Number: 13
8. Surface charge: 0
9. Complexity: 138
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 light. Avoid contact with strong oxidants and acids.
Storage method
Stored in a cool, ventilated warehouse. Keep away from fire and heat sources. Protect from direct sunlight. Keep container tightly sealed. They should be stored separately from oxidants and acids, 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
None yet
Purpose
Used as analytical reagent.
