2,4-Dichlorobenzoyl chloride
Structural formula
| Business number | 021A |
|---|---|
| Molecular formula | C7H3Cl3O |
| Molecular weight | 209 |
| label |
2,4-Dichlorobenzoyl chloride |
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.