4-pyridinemethanol
Structural formula
| Business number | 05YW |
|---|---|
| Molecular formula | C6H7NO |
| Molecular weight | 109.13 |
| label |
Pyridine-4-methanol, ω-Hydroxy-4-picoline, 4-(Hydroxymethyl)pyridine, 4-Pyridinemethanol, 4-Pyridylcarbinol, ω-Hydroxy-4-picoline, pyridines, Pharmaceutical intermediates |
Numbering system
CAS number:586-95-8
MDL number:MFCD00006442
EINECS number:209-590-6
RTECS number:UT4691000
BRN number:107850
PubChem number:24849153
Physical property data
1. Physical property data
1． Properties: Melting point57℃,
2. Boiling point141(12mmHg).
Toxicological data
Acute toxicity:
Related to classificationLD/LC50Value:
Oral LD50 422mg/kg(bwd)
Ecological data
3. Ecological data:
1, other harmful effects: This substance may be harmful to the environment, special attention should be paid to water bodies.
Molecular structure data
Molecular property data:
1、 Molar refractive index:30.79
2、 Molar volume (m3/mol):96.4
3, Isotonic specific volume (90.2K): 254.9
4、 Surface tension (dyne/cm):48.7
5, Polarizability (10-24cm3 ):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: 59.5
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. Number of covalent bond units: 1
Properties and stability
Stability and reactivity:
Materials to avoid: oxides, acids, bases.
Products to be decomposed: carbon monoxide and carbon dioxide, nitrogen oxides.
Storage method
Storage:
Seal the secret container and store it in a sealed main container in a cool place Dry position.
Synthesis method
None
Purpose
None