2,4-Dichlorobenzoyl chloride

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:89-75-8

MDL number:MFCD00000661

EINECS number:201-936-4

RTECS number:DM6636733

BRN number:608324

PubChem number:24861820

Physical property data

1. Properties: colorless liquid

2. Density (g/mL, 25/4℃): 1.494

3. Relative vapor density (g/mL, air =1): Undetermined

4. Melting point (ºC) 15-18℃

5. Boiling point (ºC, normal pressure): Undetermined

6 .       Boiling point (ºC): 150℃ (4.5kPa), 111℃ (1kPa)

7.        Refractive index: 1.5895

8.      Flash point (ºC): 137

9. Specific rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (kPa, 25ºC): Undetermined

12. Saturated vapor pressure (kPa, 60ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Log value of oil-water (octanol/water) partition coefficient: Undetermined

17. Explosion upper limit (%, V/V): Undetermined

18. Explosion lower limit (%, V/V): Undetermined

19. Solubility: Miscible with ethanol, ether, and carbon disulfide, but insoluble in water.

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 46.28

2. Molar volume (cm³/mol): 139.7

3. Isotonic specific volume (90.2K ): 362.8

4. Surface tension (dyne/cm): 45.4

5. Polarizability (10-24cm3): 18.34

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: none

6. Topological molecule polar surface area 17.1

7. Number of heavy atoms: 11

8. Surface charge: 0

9. Complexity: 160

10. Number of isotope atoms: 0

11. Determine the atomic stereocenterQuantity: 0

12. Uncertain number of stereocenters of atoms: 0

13. Determined number of stereocenters of chemical bonds: 0

14. Uncertain chemical bonds Number of stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None

Storage method

This product should be sealed and stored in a cool place.

Synthesis method

Obtained from the reaction of 2,4-dichlorobenzoic acid and chlorine sulfite.

Purpose

Used as an intermediate for dyes and medicines.