Structural formula
| Business number | 06GN |
|---|---|
| Molecular formula | C7H7CIO |
| Molecular weight | 142.58 |
| label |
2-Chloro-5-cresol, 6-Chloro-3-cresol, 6-chlorom-cresol, 4-Chloro-3-hydroxytoluene, 6-Chloro-m-cresol, ClC6H3(CH3)OH |
Numbering system
CAS number:615-74-7
MDL number:MFCD00002175
EINECS number:210-444-9
RTECS number:SK4930000
BRN number:2041487
PubChem number:24849821
Physical property data
1. Properties: Precipitated from petroleum ether as white prismatic crystals.
2. Density: 1.2150
3. Boiling point (℃): 196
4. Melting point (℃): 45～46
5. Flash point (℃): 81
6. Solubility: insoluble in water, soluble in ethanol and ether.
Toxicological data
None
Ecological data
1. Other harmful effects: This substance may be harmful to the environment, and special attention should be paid to water bodies.
Molecular structure data
1. Molar refractive index: 37.85
2. Molar volume (cm3/mol): 116.0
3. Isotonic specific volume (90.2K): 295.8
4. Surface tension (dyne/cm): 42.1
5. Polarizability (10-24cm3): 15.00
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: 1
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: 9
6. Topological molecule polar surface area 20.2
7. Number of heavy atoms: 9
8. Surface charge: 0
9. Complexity: 94.9
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
The product may not decompose under normal temperature and pressure.
Storage method
Seal the secret container and store it in a sealed main container in a cool, dry place.
Synthesis method
It is obtained by using m-cresol as raw material and reacting with sodium hypochlorite under light.
Purpose
Used as raw material for organic synthesis, pesticides and dyes; film preservative.
