4-Chloro-4,4,4-trifluoro-3-trifluoromethylcrotonophenone

Modify Date: 2025-09-16 14:38:46

4-Chloro-4,4,4-trifluoro-3-trifluoromethylcrotonophenone Structure
4-Chloro-4,4,4-trifluoro-3-trifluoromethylcrotonophenone structure
Common Name 4-Chloro-4,4,4-trifluoro-3-trifluoromethylcrotonophenone
CAS Number 35443-99-3 Molecular Weight 302.60000
Density 1.45g/cm3 Boiling Point 312.9ºC at 760 mmHg
Molecular Formula C11H5ClF6O Melting Point N/A
MSDS N/A Flash Point 143ºC

 Names

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

 Chemical & Physical Properties

Density 1.45g/cm3
Boiling Point 312.9ºC at 760 mmHg
Molecular Formula C11H5ClF6O
Molecular Weight 302.60000
Flash Point 143ºC
Exact Mass 301.99300
PSA 17.07000
LogP 4.57370
Index of Refraction 1.448
InChIKey AGWQEAPKCXRCEE-UHFFFAOYSA-N
SMILES O=C(C=C(C(F)(F)F)C(F)(F)F)c1ccc(Cl)cc1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
GQ6450000
CHEMICAL NAME :
Crotonophenone, 4'-chloro-4,4,4-trifluoro-3-(trifluoromethyl)-
CAS REGISTRY NUMBER :
35443-99-3
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C11-H5-Cl-F6-O
MOLECULAR WEIGHT :
302.61
WISWESSER LINE NOTATION :
FXFFYU1VR DG&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 :
42 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#08676

 Synthetic Route

~83%

4-Chloro-4,4,4-trifluoro-3-trifluoromethylcrotonophenone Structure

4-Chloro-4,4,4-...

CAS#:35443-99-3

Literature: Burger, Klaus; Helmreich, Brigitte Journal fuer Praktische Chemie/Chemiker-Zeitung, 1992 , vol. 334, # 3 p. 219 - 226

~%

4-Chloro-4,4,4-trifluoro-3-trifluoromethylcrotonophenone Structure

4-Chloro-4,4,4-...

CAS#:35443-99-3

Literature: Burger, Klaus; Helmreich, Brigitte Journal fuer Praktische Chemie/Chemiker-Zeitung, 1992 , vol. 334, # 3 p. 219 - 226

~%

4-Chloro-4,4,4-trifluoro-3-trifluoromethylcrotonophenone Structure

4-Chloro-4,4,4-...

CAS#:35443-99-3

Literature: Burger, Klaus; Helmreich, Brigitte Journal fuer Praktische Chemie/Chemiker-Zeitung, 1992 , vol. 334, # 3 p. 219 - 226

 Precursor & DownStream

Precursor  1

DownStream  0

 Synonyms

4'-Chloro-4,4,4-trifluoro-3-trifluoromethylcrotonophenone
CROTONOPHENONE,4'-CHLORO-4,4,4-TRIFLUORO-3-(TRIFLUOROMETHYL)
1-(p-Chlorophenyl)-4,4,4-trifluoro-3-trifluoromethyl-2-buten-1-one
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