3-Pyridinemethanol 3-Pyridinemethanol

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:100-55-0

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.