2-Chloro-5-methylphenol

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: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.