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Substance Name: Dichloroacetyl chloride
RN: 79-36-7
UNII: 52O60099FY
InChIKey: FBCCMZVIWNDFMO-UHFFFAOYSA-N

Classification Codes

  • Mutation Data
  • Skin / Eye Irritant
  • Tumor Data

Molecular Formula

  • C2-H-Cl3-O

Molecular Weight

  • 147.3879
 
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Names and Synonyms

Name of Substance

  • 2,2-Dichloroacetyl chloride
  • Dichloroacetyl chloride

Synonyms

  • 2,2-Dichloroacetyl chloride
  • 4-02-00-00504 (Beilstein Handbook Reference)
  • Acetyl chloride, dichloro-
  • alpha,alpha-Dichloroacetyl chloride
  • BRN 1209426
  • CCRIS 6011
  • Chlorid kyseliny dichloroctove
  • Chlorid kyseliny dichloroctove [Czech]
  • Chlorure de dichloracetyle
  • Chlorure de dichloracetyle [French]
  • Dichloracetyl chloride
  • Dichloroacetyl chloride
  • Dichloroethanoyl chloride
  • EC 201-199-9
  • EINECS 201-199-9
  • HSDB 5229
  • UNII-52O60099FY

Systematic Names

  • Acetyl chloride, 2,2-dichloro-
  • Acetyl chloride, dichloro-
  • Dichloroacetyl chloride

Superlist Names

  • Acetyl chloride, dichloro-
  • Dichloroacetyl chloride
  • Dichloroacetyl chloride [UN1765] [Corrosive]
  • UN1765

Registry Numbers

CAS Registry Number

  • 79-36-7

FDA UNII

  • 52O60099FY

System Generated Number

  • 0000079367

Structure Descriptors

InChI

1S/C2HCl3O/c3-1(4)2(5)6/h1H

InChIKey

FBCCMZVIWNDFMO-UHFFFAOYSA-N

Smiles

C(=O)(C(Cl)Cl)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 650uL/kg (0.65mL/kg)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 4, Pg. 119, 1951.
rat LCLo inhalation 2000ppm/4H (2000ppm)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 4, Pg. 119, 1951.
rat LD50 oral 2460mg/kg (2460mg/kg)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 4, Pg. 119, 1951.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point < 25 deg C   EXP
Boiling Point 108 deg C   EXP
log P (octanol-water) -0.040 (none)   EST
Water Solubility 8.39E+04 mg/L 25 EST
Vapor Pressure 23 mm Hg 25 EXP
Henry's Law Constant 8.25E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.88E-14 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.