3-Pyridinemethanol 3-Pyridinemethanol
Structural formula
| Business number | 02J7 |
|---|---|
| Molecular formula | C6H7NO |
| Molecular weight | 109 |
| label |
None yet |
Numbering system
CAS number:100-55-0
MDL number:MFCD00006407
EINECS number:202-864-6
RTECS number:UT4690000
BRN number:107851
PubChem number:24849874
Physical property data
1. Properties: light yellow liquid
2. Density (g/mL, 20℃): 1.134
3. Relative vapor density (g/mL, air=1 ): Undetermined
4. Melting point (ºC): -7.7
5. Boiling point (ºC, normal pressure): 266
6. Boiling point (ºC) , 28mmHg): 24
7. Refractive index: .5425-1.5455
8. Flash point (ºC): Undetermined
9. Specific rotation (º): Not determined
10. Autoignition point or ignition temperature (ºC): Not determined
11. Vapor pressure (mmHg, ºC): Not determined
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. Explosion lower limit (%, V/V): Undetermined
19. Solubility: Very soluble In water and ether.
Toxicological data
Acute toxicity: LD50 for intravenous injection in mice: 1mg/kg; LD50 for mice via unknown route: 2mg/kg;
Ecological data
This substance is slightly hazardous to water.
Molecular structure data
1. Molar refractive index: 30.79
2. Molar volume (cm3/mol): 96.4
3. Isotonic specific volume (90.2K ): 254.9
4. Surface tension (dyne/cm): 48.7
5. Dielectric constant:
6. Dipole moment (10-24cm3):
7. Polarizability: 12.20
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 2
4. Number of rotatable chemical bonds: 1
5. Number of tautomers: none
6. Topological molecule polar surface area 33.1
7. Number of heavy atoms: 8
8. Surface charge: 0
9. Complexity: 65.5
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. Covalent bond unitQuantity:1
Properties and stability
Avoid contact with oxidants, acidic substances, and water.
Storage method
Store in a cool, ventilated warehouse. Keep away from fire, heat and water sources. They should be stored separately from oxidants and acidic substances, and avoid mixed storage. Keep sealed. 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
It is prepared from pyridine as raw material or by reduction with the corresponding pyridine carboxaldehyde, or by catalytic hydrogenation of the corresponding pyridine carboxylic acid ester.
Purpose
Used on surrounding blood vessel walls to dilate blood vessels and lower cholesterol. Used for acral arterial spasm, acrocyanosis, chilblains, migraine, retinal vascular embolism, etc.