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Substance Name: Trichlorourethan
RN: 107-69-7
UNII: 32RC648BOP
InChIKey: QPLJYAKLSCXZSF-UHFFFAOYSA-N

Classification Codes

  • Mutation Data
  • Tumor Data

Molecular Formula

  • C3-H4-Cl3-N-O2

Molecular Weight

  • 192.429
 
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Names and Synonyms

Name of Substance

  • Trichlorourethan

Synonyms

  • 3-03-00-00046 (Beilstein Handbook Reference)
  • BRN 1762058
  • EINECS 203-511-9
  • Trichloroethyl carbamate
  • Trichlorourethane
  • UNII-32RC648BOP
  • Voluntal

Systematic Names

  • 2,2,2-Trichloroethyl carbamate
  • Carbamic acid, 2,2,2-trichloroethyl ester
  • Ethanol, 2,2,2-trichloro-, carbamate (9CI)

Registry Numbers

CAS Registry Number

  • 107-69-7

FDA UNII

  • 32RC648BOP

System Generated Number

  • 0000107697

Structure Descriptors

InChI

1S/C3H4Cl3NO2/c4-3(5,6)1-9-2(7)8/h1H2,(H2,7,8)

InChIKey

QPLJYAKLSCXZSF-UHFFFAOYSA-N

Smiles

C(COC(N)=O)(Cl)(Cl)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 500mg/kg (500mg/kg)   Journal of the National Cancer Institute. Vol. 8, Pg. 99, 1947.
mouse LDLo oral 750mg/kg (750mg/kg)   "Narkoseversuche mit Hoheren Alkoholen und Stickstoffderivaten, Dissertation," Leube, F., Pharmakologischen Institut der Universitat Tubingen, Fed. Rep. Ger., 1931Vol. -, Pg. -, 1931.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 64 deg C   EXP
log P (octanol-water) 1.340 (none)   EST
Water Solubility 1.00E+04 mg/L   EXP
Atmospheric OH Rate Constant 3.01E-12 cm3/molecule-sec 25 EST

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