3-chloro-4-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:615-62-3

mdl number:none

einecs number:210-439-1

rtecs number:none

brn number:none

pubchem id:none

physical property data

1. physical property data

1. melting point (ºc): 55ºc

2. boiling point (ºc,5.2kpa): 228ºc

3. density:0.963 g/ml at 25 °c(lit.

4. refractive index:n20/d 1.463(lit.)

5. flash point (ºc):228ºc

toxicological data

none

ecological data

3. ecological data:

1. other harmful effects: this substance may be harmful to the environment and should be harmful to water bodies. give special attention.

molecular structure data

5. molecular property data:

1, molar refractive index:37.85

2, molar volume (m³/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: 3

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

properties and stability:

no decomposition products may occur under normal temperatures and pressures.

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