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