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Substance Name: Hexachloroacetone
RN: 116-16-5
UNII: RU0LGU279Y
InChIKey: DOJXGHGHTWFZHK-UHFFFAOYSA-N

Note

  • Found in edible Hawaiian seaweed; has mutagenic activity in variety of short term bacterial assay systems in absence of microsomal activation.

Molecular Formula

  • C3-Cl6-O

Molecular Weight

  • 264.75
 

Classification Codes

  • Agricultural Chemical
  • Herbicide
  • Mutation Data
  • Out-Dated Pesticide
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Names and Synonyms

Name of Substance

  • Hexachloroacetone

Synonyms

  • 1,1,1,3,3,3-Hexachloro-2-propanone
  • 1,1,1,3,3,3-Hexachloropropanone
  • 2-Propanone, 1,1,1,3,3,3-hexachloro-
  • 2-Propanone, hexachloro-
  • 4-01-00-03223 (Beilstein Handbook Reference)
  • Acetone, hexachloro-
  • AI3-22917
  • Bis(trichloromethyl) ketone
  • BRN 1707475
  • Caswell No. 476
  • EC 204-129-5
  • EINECS 204-129-5
  • EPA Pesticide Chemical Code 043701
  • GC-1106
  • HCA (VAN)
  • HCA weedkiller
  • HCA [Herbicide]
  • Hexachloro-2-propanone
  • Hexachloroacetone
  • Hexachloropropanone
  • HSDB 1723
  • Kureha HCA
  • NSC 6852
  • Perchloro-2-propanone
  • Perchloroacetone
  • UNII-RU0LGU279Y

Systematic Names

  • 2-Propanone, 1,1,1,3,3,3-hexachloro-
  • Hexachloroacetone

Superlist Names

  • Hexachloroacetone
  • Hexachloroacetone [UN2661] [Poison]
  • UN2661

Registry Numbers

CAS Registry Number

  • 116-16-5

FDA UNII

  • RU0LGU279Y

System Generated Number

  • 0000116165

Structure Descriptors

InChI

1S/C3Cl6O/c4-2(5,6)1(10)3(7,8)9

InChIKey

DOJXGHGHTWFZHK-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 oral 700mg/kg (700mg/kg)   Pesticide Chemicals Official Compendium, Association of the American Pesticide Control Officials, Inc., 1966. Vol. -, Pg. 580, 1966.
mouse LC50 inhalation 920mg/m3/2H (920mg/m3)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 72, 1982.
rabbit LD50 skin 2980mg/kg (2980mg/kg)   "Wirksubstanzen der Pflanzenschutz und Schadlingsbekampfungsmittel," Perkow, W., Berlin, Verlag Paul Parey, 1971-1976Vol. -, Pg. -, 1971/1976.
rat LC50 inhalation 360ppm/6H (360ppm) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

LUNGS, THORAX, OR RESPIRATION: CHRONIC PULMONARY EDEMA
Toxicology and Applied Pharmacology. Vol. 7, Pg. 592, 1965.
rat LD50 oral 240mg/kg (240mg/kg)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 72, 1982.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -2.00E+00 deg C   EXP
Boiling Point 203 deg C   EXP
log P (octanol-water) 2.480 (none)   EST
Water Solubility 150 mg/L 25 EST
Vapor Pressure 0.123 mm Hg 25 EST
Henry's Law Constant 9.47E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 0.0 cm3/molecule-sec 25 EST

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