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Substance Name: 1,1,1-Trichloroacetone
RN: 918-00-3
UNII: NW27ZG5LDA
InChIKey: SMZHKGXSEAGRTI-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C3-H3-Cl3-O

Molecular Weight

  • 161.415
 
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Names and Synonyms

Name of Substance

  • 1,1,1-Trichloroacetone

Synonyms

  • 1,1,1-Trichloro-2-propanone
  • 1,1,1-Trichloroacetone
  • 1,1,1-Trichloropropanone
  • 4-01-00-03221 (Beilstein Handbook Reference)
  • AI3-19851
  • alpha,alpha,alpha-Trichloroacetone
  • BRN 1748883
  • CCRIS 7196
  • HSDB 7625
  • NSC 2645
  • UNII-NW27ZG5LDA

Systematic Names

  • 1,1,1-Trichloropropanone
  • 2-Propanone, 1,1,1-trichloro-

Registry Numbers

CAS Registry Number

  • 918-00-3

FDA UNII

  • NW27ZG5LDA

System Generated Number

  • 0000918003

Structure Descriptors

InChI

1S/C3H3Cl3O/c1-2(7)3(4,5)6/h1H3

InChIKey

SMZHKGXSEAGRTI-UHFFFAOYSA-N

Smiles

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

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 149 deg C   EXP
log P (octanol-water) 1.120 (none)   EST
Water Solubility 7450 mg/L 25 EST
Vapor Pressure 7.500 mm Hg 25 EST
Henry's Law Constant 2.17E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.50E-14 cm3/molecule-sec 25 EST

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