1,1,3,3-tetrachloroacetone

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Names

[ CAS No. ]:
632-21-3

[ Name ]:
1,1,3,3-tetrachloroacetone

[Synonym ]:
2-Propanone,1,1,3,3-tetrachloro
EINECS 211-172-3
1,1,3,3-Tetrachloropropanone
1,1,3,3-Tetrachlor-aceton
1,1,3,3-Tetrachloro-2-propanone
1,1,3,3-Tetrachloroacetone
1,1,3,3-tetrachloro-propan-2-one

Chemical & Physical Properties

[ Density]:
1.624(15/4ºC )

[ Boiling Point ]:
180~182(95.5kPa)

[ Melting Point ]:
48-49(水合物)ºC

[ Molecular Formula ]:
C3H2Cl4O

[ Molecular Weight ]:
195.85900

[ Flash Point ]:
73.7ºC

[ Exact Mass ]:
193.88600

[ PSA ]:
17.07000

[ LogP ]:
2.16290

[ Index of Refraction ]:
1.492

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UC3815100
CHEMICAL NAME :
2-Propanone, 1,1,3,3-tetrachloro-
CAS REGISTRY NUMBER :
632-21-3
BEILSTEIN REFERENCE NO. :
1754083
LAST UPDATED :
199710
DATA ITEMS CITED :
8
MOLECULAR FORMULA :
C3-H2-Cl4-O
MOLECULAR WEIGHT :
195.85

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
176 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
80 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
500 mg/kg
SEX/DURATION :
female 6-15 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - craniofacial (including nose and tongue) Reproductive - Specific Developmental Abnormalities - musculoskeletal system
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
150 mg/kg
SEX/DURATION :
female 6-15 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
130 mg/kg
SEX/DURATION :
female 6-18 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - musculoskeletal system

MUTATION DATA

TYPE OF TEST :
Mutation in microorganisms
TEST SYSTEM :
Yeast - Saccharomyces cerevisiae
DOSE/DURATION :
1 ug/L
REFERENCE :
MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 155,53,1985

Synthetic Route

Precursor & DownStream

Precursor

  • 3-Oxopentanedioic acid
  • 1,1,3-Trichloroacetone
  • tetrachloroacetone hydrate
  • {[2,2-dichloro-1-(dichloromethyl)vinyl]oxy}trimethylsilane
  • Chloranilic acid
  • Phloroglucinol
  • 3,3,5-trichloro-cyclopentane-1,2,4-trione
  • acetic acid

DownStream

  • Oxirane,2-(2,2-dimethylpropyl)-2-methyl-
  • tetrachloroacetone hydrate
  • 9-Oxabicyclo[6.1.0]nonane
  • 1,2-Cyclohexanediol
  • Chloranilic acid
  • Cyclohexene oxide
  • UNII:596C064IG4
  • 1,2-Epoxy-4-vinylcyclohexane (mixture of isomers)
  • 4-vinylcyclohexene monooxide
  • 1,1,2,2,3,3-HEXACHLOROPROPANE

Related Compounds

  • 1,1,3,3-Tetrachloro-1,3-difluoroacetone
  • 1,1,3,3,4-pentafluorobutane
  • 1,1,3,3-tetradeuterio-2-phenylpropane-1,3-diol
  • 1,1,3,3-tetramethyldisiloxane-1,3-diol
  • bis(4-(1,1,3,3-tetramethylbutyl)phenyl) ether
  • 1-chloro-1,1,3,3-tetrafluoro-3-fluorosulfonyloxy-2-oxopropane
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 1-(2-Bromo-3-nitrophenyl)-2-chloroethan-1-one
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine
  • 4-amino-N-[2-tert-butyl-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]-N-ethylbenzenesulfonamide