Phthaloyl chloride
Structural formula
| Business number | 0207 |
|---|---|
| Molecular formula | C8H4Cl2O2 |
| Molecular weight | 203.02 |
| label |
1,2-Phthaloyl dichloride, Phthaloyl chloride, Phthalyl chloride, Phthaloyl dichloride, 1,2-Bis(chlorocarbonyl)benzene, C6H4-1,2-(COCl)2 |
Numbering system
CAS number:88-95-9
MDL number:MFCD00000666
EINECS number:201-869-0
RTECS number:None
BRN number:608200
PubChem number:24898487
Physical property data
1. Properties: colorless oily liquid.
2. Density (g/mL, 25/4℃): 1.409
3. Relative vapor density (g/mL, air=1): Undetermined
4. Melting point (ºC): 15-16
5. Boiling point (ºC, normal pressure): 280-282
6. Boiling point (ºC, 5.2kPa): Undetermined
7. Refractive index: 1.5692
8. Flash point (ºC): Undetermined
9. Specific rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (kPa, 25ºC): Undetermined
12. Saturation 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. Lower explosion limit (%, V/V): Undetermined
19. Solubility: decomposes when exposed to water and alcohol, soluble in ether , chloroform, benzene.
Toxicological data
None
Ecological data
None
Molecular structure data
1. Molar refractive index: 46.74
2. Molar volume (cm3/mol): 142.2
3. Isotonic specific volume (90.2K ): 374.9
4. Surface tension (dyne/cm): 48.2
5. Polarizability (10-24cm3): 18.52
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Hydrogen bond supplyNumber of ��: 0
3. Number of hydrogen bond acceptors: 2
4. Number of rotatable chemical bonds: 2
5. Tautomers Number: None
6. Topological molecule polar surface area 34.1
7. Number of heavy atoms: 12
8. Surface charge: 0
9. Complexity: 181
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain Number of atomic stereocenters: 0
13. Determined number of stereocenters of chemical bonds: 0
14. Uncertain number of stereocenters of chemical bonds: 0
15 .Number of covalent bond units: 1
Properties and stability
None
Storage method
This product should be sealed and stored away from light.
Synthesis method
Mix 148g phthalic anhydride and 220g phosphorus pentachloride, heat, gradually increase the temperature to 250°C, release phosphorus oxychloride, distill the reaction product under reduced pressure, collect the 131-133°C (1.2-1.33kPa) fraction, and obtain 187g phthaloyl chloride.
Purpose
Organic synthesis intermediates.
