Phthaloyl 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: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.