1,1,3-trichlorotrifluoroacetone

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Names

[ CAS No. ]:
79-52-7

[ Name ]:
1,1,3-trichlorotrifluoroacetone

[Synonym ]:
1,1,3-Trifluoro-1,3,3-trichloroacetone
1,1,3-trichlorotrifluoropropan-2-one
MFCD00039321
1,1,3-trichloro-1,3,3-trifluoroacetone
1,1,3-trichloro-F-propanone
3FK
1,1,3-Trichlorotrifluoroacetone
1,1,3-Trichloro-1,3,3-trifluoro-2-propanone
Acetone,1,1,3-trichloro-1,3,3-trifluoro
1,1,3-trichloroperfluoropropanone
1,1,3-trifluorotrichloro-2-propanone

Chemical & Physical Properties

[ Density]:
1.712 g/cm3

[ Boiling Point ]:
85°C

[ Melting Point ]:
<-78ºC

[ Molecular Formula ]:
C3Cl3F3O

[ Molecular Weight ]:
215.38600

[ Flash Point ]:
22.1ºC

[ Exact Mass ]:
213.89700

[ PSA ]:
17.07000

[ LogP ]:
2.48800

[ Index of Refraction ]:
1.386

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UC3850000
CHEMICAL NAME :
2-Propanone, 1,1,3-trichloro-1,3,3-trifluoro-
CAS REGISTRY NUMBER :
79-52-7
BEILSTEIN REFERENCE NO. :
1707474
LAST UPDATED :
199612
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C3-Cl3-F3-O
MOLECULAR WEIGHT :
215.38
WISWESSER LINE NOTATION :
GXFGVXGFF

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
277 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 6,341,1964
TYPE OF TEST :
LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
450 ppm/3H
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 6,341,1964
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
180 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#01752
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
770 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
34ZIAG "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969 Volume(issue)/page/year: -,603,1969

Safety Information

[ Hazard Codes ]:
C: Corrosive;

[ Risk Phrases ]:
R34

[ Safety Phrases ]:
S26-S36/37/39

[ RIDADR ]:
3265

[ RTECS ]:
UC3850000

[ HS Code ]:
2914700090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Hexachloroacetone

DownStream

  • 1,1,1-Trifluoroacetone
  • chlorodifluoroacetic acid
  • Dichloromonofluoromethane
  • 1,3-dichlorotetrafluoroacetone
  • dichloro(fluoro)methane
  • chloro(difluoro)methane
  • 3,3-Difluoro-1,1,1,3-tetrachloropropan-2-one
  • 1,3,3-trichloro-1,1,4,4,5,5,5-heptafluoropentan-2-one

Customs

[ HS Code ]: 2914700090

[ Summary ]:
HS: 2914700090 halogenated, sulphonated, nitrated or nitrosated derivatives of ketones and quinones, whether or not with other oxygen function Tax rebate rate:9.0% Supervision conditions:none VAT:17.0% MFN tariff:5.5% General tariff:30.0%

Related Compounds

  • 1-(1,3-benzodioxol-5-ylmethyl)cyclobutan-1-amine
  • 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-methylurea
  • 1-(1,3-benzodioxol-5-yl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-en-1-one
  • 1-(1,3-benzodioxol-5-yl)cyclopropan-1-amine
  • 1-(1,3-Benzodioxol-5-yl)-2-butanamine
  • 1-(1,3-dimethyl-5-phenoxypyrazol-4-yl)ethanone
  • 3-(5-Chloro-2-(difluoromethoxy)phenyl)-1H-pyrazol-4-amine hcl
  • 4-[(2-Methoxy-1,3-thiazol-5-yl)oxy]piperidine
  • 2,2-Difluoro-3-(4-(trifluoromethyl)phenyl)bicyclo[1.1.1]pentane-1-carboxylic acid
  • 2-(2,2-Difluorocyclobutyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
  • Tert-butyl (2-(2-(2-(2-(4-formyl-2-hydroxyphenoxy)ethoxy)ethoxy)ethoxy)ethyl)carbamate
  • 1-(4-Methoxy-2,6-dimethylphenyl)-4,5-dimethyl-1H-imidazole
  • 2-[2-Methyl-5-(2,2,2-trifluoroacetamido)phenoxy]propanoic acid
  • 4-[(2S)-2-hydroxypropyl]-2-nitrophenol
  • 1-(Bromomethyl)-1-(butan-2-yl)-3-methylcyclobutane
  • 1-Bromo-2-methylhept-3-ene
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