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.