Toluene diisocyanate manufacturer Knowledge Trichloroacetyl Chloride Trichloroacetyl Chloride

Trichloroacetyl Chloride Trichloroacetyl Chloride

Trichloroacetyl chloride structural formula

Structural formula

Business number 01KM
Molecular formula C2Cl4O
Molecular weight 181
label

None

Numbering system

CAS number:76-02-8

MDL number:MFCD00000792

EINECS number:200-926-7

RTECS number:AO7140000

BRN number:774120

PubChem number:24889444

Physical property data

1. Properties: colorless liquid with pungent odor

2. Density (g/mL, 25/4℃): 1.541-1.543 (20)

3. Relative density (20℃, 4℃): 1.6202

4. Melting point (ºC): -57°C

5. Boiling point (ºC, normal pressure): 118℃

6. Refractive index at room temperature (n20): 1.4697

7. Refractive index: 1.469-1.471

8. Flash point ( ºC): 100°C

9. Solubility parameter (J·cm-3)0.5: 18.502

10 . van der Waals area (cm2·mol-1): 8.860×109

11. Waals volume (cm3·mol-1): 63.370

12. Liquid phase standard hot melt (J·mol-1·K-1): 168.8

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

14. Critical temperature (ºC) : Uncertain

15. Critical pressure (KPa): Uncertain

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

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

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

19. Solubility: with water Violent reaction

Toxicological data

1. Acute toxicity

Rat caliber LD50: 600mg/kg

Rat inhalation LC50: 475 mg/m3/4H

Mouse inhalation LC50: 445mg/m3

Ecological data

None

Molecular structure data

1. Molar refractive index: 30.70

2. Molar volume (cm3/mol): 104.2

3. Isotonic specific volume (90.2K ): 265.6

4. Surface tension (dyne/cm): 42.1

5. Polarizability (10-24cm3):12.17

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP): 2.6

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds: 0

5. Number of tautomers:

6. Topological molecular polar surface area (TPS)A): 17.1

7. Number of heavy atoms: 7

8. Surface charge: 0

9. Complexity: 82.2

10. The number of isotope atoms: 0

11. The number of determined atomic stereocenters: 0

12. The number of uncertain 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 is sealed and stored in a cool and dry place.

Synthesis method

None

Purpose

It is widely used as an important intermediate in the synthesis of broad-spectrum, highly efficient insecticides and acaricides chlorpyrifos, chlorpyrifos-methyl and herbicides.

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