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.