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Substance Name: Trichloroacetyl chloride
RN: 76-02-8
UNII: 9SN86T76Y6
InChIKey: PVFOMCVHYWHZJE-UHFFFAOYSA-N

Classification Code

  • Threshold Planning Quantity (TPQ) = 500 lb

Molecular Formula

  • C2-Cl4-O

Molecular Weight

  • 181.833
 
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Names and Synonyms

Name of Substance

  • Trichloroacetyl chloride

Synonyms

  • 4-02-00-00519 (Beilstein Handbook Reference)
  • Acetyl chloride, trichloro-
  • BRN 0774120
  • CCRIS 6764
  • EC 200-926-7
  • EINECS 200-926-7
  • HSDB 6321
  • NSC 190466
  • Superpalite
  • Trichloroacetic acid chloride
  • Trichloroacetochloride
  • Trichloroacetyl chloride
  • UNII-9SN86T76Y6

Systematic Names

  • Acetyl chloride, 2,2,2-trichloro-
  • Acetyl chloride, trichloro-
  • Trichloroacetyl chloride

Superlist Names

  • Trichloroacetyl chloride
  • Trichloroacetyl chloride [UN2442] [Corrosive]
  • UN2442

Registry Numbers

CAS Registry Number

  • 76-02-8

FDA UNII

  • 9SN86T76Y6

System Generated Number

  • 0000076028

Structure Descriptors

InChI

InChI=1S/C2Cl4O/c3-1(7)2(4,5)6

InChIKey

PVFOMCVHYWHZJE-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LC50 inhalation 445mg/m3 (445mg/m3)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 113, 1982.
rat LC50 inhalation 475mg/m3/4H (475mg/m3)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 113, 1982.
rat LD50 oral 600mg/kg (600mg/kg)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 113, 1982.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -3.18E+01 deg C   EXP
Boiling Point 117.9 deg C   EXP
log P (octanol-water) 0.880 (none)   EST
Water Solubility 9490 mg/L 25 EST
Vapor Pressure 21.3 mm Hg 25 EXP
Henry's Law Constant 5.07E-04 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 0.0 cm3/molecule-sec 25 EST

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