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Substance Name: Bischloromethyl ketone
RN: 534-07-6
UNII: UFH8559WS5
InChIKey: SUNMBRGCANLOEG-UHFFFAOYSA-N

Molecular Formula

  • C3-H4-Cl2-O

Molecular Weight

  • 126.97
 

Classification Codes

Classification Codes

  • Mutation Data
  • Skin / Eye Irritant
  • Tumor Data

Superlist Classification Code

  • Threshold Planning Quantity (TPQ) = 10/10000 lb
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Names and Synonyms

Name of Substance

  • 1,3-Dichloroacetone
  • Bischloromethyl ketone

Synonyms

  • 1,3-Dichloro-2-propanone
  • 1,3-Dichloroacetona
  • 1,3-Dichloroacetona [Spanish]
  • 1,3-Dichloroacetone
  • 1,3-Dichloropropanone
  • 2-Propanone, 1,3-dichloro-
  • 4-01-00-03219 (Beilstein Handbook Reference)
  • Acetone, 1,3-dichloro
  • Bis(chloromethyl) ketone
  • Bis(chloromethyl)ketone
  • BRN 0605456
  • CCRIS 1942
  • Dichloro-1,3 acetone
  • Dichloro-1,3 acetone [French]
  • EINECS 208-585-6
  • HSDB 6391
  • NSC 8745
  • s-Dichloroacetone
  • sym-Dichloroacetone
  • UNII-UFH8559WS5

Systematic Names

  • 1,3-Dichloroacetone
  • 1,3-Dichloropropanone
  • 2-Propanone, 1,3-dichloro-

Superlist Names

  • 1,3-Dichloroacetone
  • 1,3-Dichloroacetone [UN2649] [Poison]
  • Bis(chloromethyl) ketone
  • UN2649

Registry Numbers

CAS Registry Number

  • 534-07-6

FDA UNII

  • UFH8559WS5

System Generated Number

  • 0000534076

Structure Descriptors

InChI

1S/C3H4Cl2O/c4-1-3(6)2-5/h1-2H2

InChIKey

SUNMBRGCANLOEG-UHFFFAOYSA-N

Smiles

C(CCl)(CCl)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LC50 inhalation 27mg/m3/2H (27mg/m3)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 44, 1982.
mouse LD50 oral 18900ug/kg (18.9mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE
National Technical Information Service. Vol. OTS0555373,
rabbit LD50 skin 53mg/kg (53mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION

SENSE ORGANS AND SPECIAL SENSES: IRITIS: EYE
National Technical Information Service. Vol. OTS0555373,
rat LC50 inhalation 29mg/m3/2H (29mg/m3)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 44, 1982.
rat LD50 oral 20mg/kg (20mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) National Technical Information Service. Vol. OTS0555373,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 45 deg C   EXP
Boiling Point 173.4 deg C   EXP
log P (octanol-water) 0.270 (none)   EST
Water Solubility 5.52E+04 mg/L 25 EST
Henry's Law Constant 6.15E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.32E-13 cm3/molecule-sec 25 EST

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