4,4,4-trifluoro-1-(4-fluorophenyl)-3-(trifluoromethyl)but-2-en-1-one

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Names

[ CAS No. ]:
35444-02-1

[ Name ]:
4,4,4-trifluoro-1-(4-fluorophenyl)-3-(trifluoromethyl)but-2-en-1-one

[Synonym ]:
4'-Fluoro-4,4,4-trifluoro-3-trifluoromethylcrotonophenone

Chemical & Physical Properties

[ Density]:
1.424g/cm3

[ Boiling Point ]:
281.7ºC at 760 mmHg

[ Molecular Formula ]:
C11H5F7O

[ Molecular Weight ]:
286.14600

[ Flash Point ]:
107.8ºC

[ Exact Mass ]:
286.02300

[ PSA ]:
17.07000

[ LogP ]:
4.05940

[ Index of Refraction ]:
1.421

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
GQ6550000
CHEMICAL NAME :
Crotonophenone, 4'-fluoro-4,4,4-trifluoro-3-(trifluoromethyl)-
CAS REGISTRY NUMBER :
35444-02-1
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C11-H5-F7-O
MOLECULAR WEIGHT :
286.16
WISWESSER LINE NOTATION :
FXFFYU1VR DF&XFFF

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
56 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#08667

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 1-(4-fluorophenyl)ethenoxy-trimethylsilane

DownStream

Related Compounds

  • 7,8-dimethyl-1-(4-methylphenyl)-3-(2-morpholinoethyl)-1,2,3,4-tetrahydro-6H-pyrimido[1,2-a][1,3,5]triazin-6-one
  • 1-Amino-4-tert-butylcyclohexane-1-carboxylic acid hydrochloride
  • methyl 4-(5-chloro-2-oxo-2,3-dihydro-1H-indol-3-yl)-5-(3,4-dimethoxyphenyl)-2-methyl-1H-pyrrole-3-carboxylate
  • 2-{2-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzimidazolyl}-N-(methylethyl) acetamide
  • 1-[(4-methylphenyl)methyl]-1H-pyrazol-5-amine dihydrochloride
  • methyl 4-(5-chloro-2-oxo-2,3-dihydro-1H-indol-3-yl)-2-methyl-5-(3-thienyl)-1H-pyrrole-3-carboxylate
  • 6-Phenoxypyridin-3-amine dihydrochloride
  • N-cyclopentyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxamide
  • N-[2-({[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbonyl}amino)ethyl]-1-methyl-1H-indole-2-carboxamide
  • sodium 2-oxo-3-(3-oxo-1-phenylbutyl)-2H-chromen-4-olate propan-2-ol
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