1-(4-Biphenylyl)-4,4,4-trifluoro-3-trifluoromethyl-2-buten-1-one

Modify Date: 2024-09-15 15:28:15

1-(4-Biphenylyl)-4,4,4-trifluoro-3-trifluoromethyl-2-buten-1-one Structure
1-(4-Biphenylyl)-4,4,4-trifluoro-3-trifluoromethyl-2-buten-1-one structure
Common Name 1-(4-Biphenylyl)-4,4,4-trifluoro-3-trifluoromethyl-2-buten-1-one
CAS Number 35444-06-5 Molecular Weight 344.25100
Density 1.314g/cm3 Boiling Point 401.2ºC at 760 mmHg
Molecular Formula C17H10F6O Melting Point N/A
MSDS N/A Flash Point 152.8ºC

 Names

Name 4,4,4-trifluoro-1-(4-phenylphenyl)-3-(trifluoromethyl)but-2-en-1-one
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.314g/cm3
Boiling Point 401.2ºC at 760 mmHg
Molecular Formula C17H10F6O
Molecular Weight 344.25100
Flash Point 152.8ºC
Exact Mass 344.06400
PSA 17.07000
LogP 5.58730
Index of Refraction 1.488
InChIKey WWNXVJDVYCLEPP-UHFFFAOYSA-N
SMILES O=C(C=C(C(F)(F)F)C(F)(F)F)c1ccc(-c2ccccc2)cc1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
GQ6700000
CHEMICAL NAME :
Crotonophenone, 4'-phenyl-4,4,4-trifluoro-3-(trifluoromethyl)-
CAS REGISTRY NUMBER :
35444-06-5
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C17-H10-F6-O
MOLECULAR WEIGHT :
344.27
WISWESSER LINE NOTATION :
FXFFYU1VR DR&&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#08707

 Safety Information

HS Code 2914700090

 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%

 Synonyms

1-(4-Biphenylyl)-4,4,4-trifluoro-3-trifluoromethyl-2-buten-1-one
CROTONOPHENONE,4'-PHENYL-4,4,4-TRIFLUORO-3-(TRIFLUOROMETHYL)
4'-Phenyl-4,4,4-trifluoro-3-trifluoromethylcrotonophenone
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