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Substance Name: Ethyl trichloroacetate
RN: 515-84-4
UNII: BR8FKN5Z55
InChIKey: SJMLNDPIJZBEKY-UHFFFAOYSA-N

Molecular Formula

  • C4-H5-Cl3-O2

Molecular Weight

  • 191.4405
 
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Names and Synonyms

Name of Substance

  • Ethyl trichloroacetate

Synonyms

  • Acetic acid, ester with trichloroethanol
  • AI3-28577
  • EC 208-212-7
  • EINECS 208-212-7
  • Ethyl trichloroacetate
  • NSC 8829
  • Trichloroethyl acetate
  • UNII-BR8FKN5Z55

Systematic Names

  • Acetic acid, 2,2,2-trichloro-, ethyl ester
  • Acetic acid, trichloro-, ethyl ester
  • Ethyl trichloroacetate

Registry Numbers

CAS Registry Number

  • 515-84-4

FDA UNII

  • BR8FKN5Z55

System Generated Number

  • 0000515844

Structure Descriptors

InChI

InChI=1S/C4H5Cl3O2/c1-2-9-3(8)4(5,6)7/h2H2,1H3

InChIKey

SJMLNDPIJZBEKY-UHFFFAOYSA-N

Smiles

CCOC(=O)C(Cl)(Cl)Cl

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 167.5 deg C   EXP
log P (octanol-water) 2.39 (none)   EXP
Water Solubility 440 mg/L 25 EST
Vapor Pressure 3.81 mm Hg 25 EXP
Henry's Law Constant 1.02E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.04E-13 cm3/molecule-sec 25 EST

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