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Substance Name: Trichloroacetamide
RN: 594-65-0
UNII: I8BL3305RO
InChIKey: UPQQXPKAYZYUKO-UHFFFAOYSA-N

Note

  • Trichloroacetimidic acid is tautomeric with trichloroacetamide.

Molecular Formula

  • C2-H2-Cl3-N-O

Molecular Weight

  • 162.4028
 
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Names and Synonyms

Name of Substance

  • Trichloroacetamide

Synonyms

  • 2,2,2-Trichloroacetamide
  • 4-02-00-00520 (Beilstein Handbook Reference)
  • Acetamide, alpha-trichloro-
  • AI3-15484
  • Amid kyseliny trichloroctove
  • Amid kyseliny trichloroctove [Czech]
  • BRN 1754028
  • EINECS 209-849-3
  • NSC 16599
  • Trichloroacetamide
  • UNII-I8BL3305RO

Systematic Names

  • 2,2,2-Trichloroacetamide
  • Acetamide, 2,2,2-trichloro-

Superlist Name

  • Trichloroacetamide

Registry Numbers

CAS Registry Number

  • 594-65-0

FDA UNII

  • I8BL3305RO

System Generated Number

  • 0000594650

Structure Descriptors

InChI

1S/C2H2Cl3NO/c3-2(4,5)1(6)7/h(H2,6,7)

InChIKey

UPQQXPKAYZYUKO-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 180mg/kg (180mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04129,
mouse LDLo intraperitoneal 1100mg/kg (1100mg/kg)   Journal of the American Chemical Society. Vol. 63, Pg. 1437, 1941.
rat LDLo oral 500mg/kg (500mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 90, Pg. 260, 1947.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 142 deg C   EXP
Boiling Point 240 deg C   EXP
log P (octanol-water) 1.04 (none)   EXP
Water Solubility 1.30E+04 mg/L 20 EXP
Vapor Pressure 0.011 mm Hg 25 EST
Henry's Law Constant 4.89E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.00E-12 cm3/molecule-sec 25 EST

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