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Substance Name: Urea, (1-hydroxy-2,2,2-trichloroethyl)-
RN: 2000-40-0
InChIKey: VPENXVZFNXARIV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C3-H5-Cl3-N2-O2

Molecular Weight

  • 207.443
 
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Names and Synonyms

Synonyms

  • (1-Hydroxy-2,2,2-trichloroethyl)urea
  • 1-03-00-00027 (Beilstein Handbook Reference)
  • AI3-02192
  • BRN 1769275
  • Chloralurea
  • Monochloralurea
  • Trichloro-ethylol-urea

Systematic Names

  • Urea, (1-hydroxy-2,2,2-trichloroethyl)-
  • Urea, (2,2,2-trichloro-1-hydroxyethyl)-

Registry Numbers

CAS Registry Number

  • 2000-40-0

System Generated Number

  • 0002000400

Structure Descriptors

InChI

1S/C3H5Cl3N2O2/c4-3(5,6)1(9)8-2(7)10/h1,9H,(H3,7,8,10)

InChIKey

VPENXVZFNXARIV-UHFFFAOYSA-N

Smiles

N([C@@H](C(Cl)(Cl)Cl)O)C(=O)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 500mg/kg (500mg/kg)   "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 4, Pg. 323, 1952.
mouse LD50 oral 1850mg/kg (1850mg/kg)   United States Patent Document. Vol. #3510557,

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -0.780 (none)   EST
Water Solubility 4.00E+04 mg/L 15 EXP
Atmospheric OH Rate Constant 3.06E-12 cm3/molecule-sec 25 EST

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