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Substance Name: Methyl trichloroacetic acid
RN: 598-99-2
InChIKey: VHFUHRXYRYWELT-UHFFFAOYSA-N

Molecular Formula

  • C3-H3-Cl3-O2

Molecular Weight

  • 177.414
 
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Names and Synonyms

Name of Substance

  • Methyl trichloroacetic acid

Synonyms

  • EC 209-960-7
  • EINECS 209-960-7
  • Methyl trichloroacetate
  • NSC 38452

Systematic Names

  • Acetic acid, 2,2,2-trichloro-, methyl ester
  • Acetic acid, trichloro-, methyl ester
  • Methyl trichloroacetate

Superlist Names

  • Methyl trichloroacetate [UN2533] [Poison]
  • UN2533

Registry Numbers

CAS Registry Number

  • 598-99-2

Other Registry Number

  • 1081783-08-5

System Generated Number

  • 0000598992

Structure Descriptors

InChI

1S/C3H3Cl3O2/c1-8-2(7)3(4,5)6/h1H3

InChIKey

VHFUHRXYRYWELT-UHFFFAOYSA-N

Smiles

C(C(OC)=O)(Cl)(Cl)Cl

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -1.75E+01 deg C   EXP
Boiling Point 153.8 deg C   EXP
log P (octanol-water) 2.03 (none)   EXP
Water Solubility 1050 mg/L 25 EST
Vapor Pressure 5.500 mm Hg 25 EST
Henry's Law Constant 7.66E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.90E-14 cm3/molecule-sec 25 EST

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