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Substance Name: Chloroacetyl chloride
RN: 79-04-9
UNII: K5UML06YUO
InChIKey: VGCXGMAHQTYDJK-UHFFFAOYSA-N

Classification Code

  • TWA (0.05 ppm); STEL (0.15 ppm); skin

Molecular Formula

  • C2-H2-Cl2-O

Molecular Weight

  • 112.9428
 
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Names and Synonyms

Name of Substance

  • Chloroacetyl chloride

Synonyms

  • 4-02-00-00488 (Beilstein Handbook Reference)
  • Acetyl chloride, chloro-
  • BRN 0605439
  • CCRIS 9145
  • Chloracetyl chloride
  • Chlorid kyseliny chloroctove
  • Chlorid kyseliny chloroctove [Czech]
  • Chloroacetic acid chloride
  • Chloroacetic chloride
  • Chloroacetyl chloride
  • Chlorure de chloracetyle
  • Chlorure de chloracetyle [French]
  • EC 201-171-6
  • EINECS 201-171-6
  • HSDB 973
  • Monochloroacetyl chloride
  • UNII-K5UML06YUO

Systematic Names

  • Acetyl chloride, 2-chloro-
  • Acetyl chloride, chloro-
  • Chloroacetyl chloride

Superlist Names

  • Acetyl chloride, chloro-
  • Chloroacetyl chloride
  • Chloroacetyl chloride [UN1752] [Poison]
  • UN1752

Registry Numbers

CAS Registry Number

  • 79-04-9

FDA UNII

  • K5UML06YUO

Other Registry Number

  • 1256778-77-4

System Generated Number

  • 0000079049

Structure Descriptors

InChI

1S/C2H2Cl2O/c3-1-2(4)5/h1H2

InChIKey

VGCXGMAHQTYDJK-UHFFFAOYSA-N

Smiles

C(CCl)(=O)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LC50 inhalation 1300ppm/2H (1300ppm)   "Documentation of the Threshold Limit Values and Biological Exposure Indices," 5th ed., Cincinnati, OH, American Conference of Governmental Industrial Hygienists, Inc., 1986Vol. 5, Pg. 123(89), 1986.
mouse LD50 intravenous 32mg/kg (32mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04538,
mouse LD50 oral 220mg/kg (220mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 54(2), Pg. 90, 1989.
rabbit LDLo skin 316mg/kg (316mg/kg)   "Documentation of the Threshold Limit Values and Biological Exposure Indices," 5th ed., Cincinnati, OH, American Conference of Governmental Industrial Hygienists, Inc., 1986Vol. 5, Pg. 123(89), 1986.
rat LC50 inhalation 660ppm/1H (660ppm)   National Technical Information Service. Vol. OTS0555574,
rat LD50 oral 208mg/kg (208mg/kg)   "Documentation of the Threshold Limit Values and Biological Exposure Indices," 5th ed., Cincinnati, OH, American Conference of Governmental Industrial Hygienists, Inc., 1986Vol. 5, Pg. 123(89), 1986.
rat LD50 skin 662mg/kg (662mg/kg) SKIN AND APPENDAGES (SKIN): CORROSIVE: AFTER TOPICAL EXPOSURE Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 54(2), Pg. 90, 1989.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -2.20E+01 deg C   EXP
Boiling Point 106 deg C   EXP
log P (octanol-water) -0.220 (none)   EST
Water Solubility 1.63E+05 mg/L 25 EST
Vapor Pressure 25.2 mm Hg 25 EXP
Henry's Law Constant 2.34E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.38E-14 cm3/molecule-sec 25 EST

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