2-Acetyl-3-hydroxy-4,4,4-trifluoro-3-(trifluoromethyl)butyric acid ethyl ester

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Names

[ CAS No. ]:
680-09-1

[ Name ]:
2-Acetyl-3-hydroxy-4,4,4-trifluoro-3-(trifluoromethyl)butyric acid ethyl ester

Chemical & Physical Properties

[ Molecular Formula ]:
C9H10F6O4

[ Molecular Weight ]:
296.16400

[ Exact Mass ]:
296.04800

[ PSA ]:
63.60000

[ LogP ]:
1.61040

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
ES5730000
CHEMICAL NAME :
Butyric acid, 2-acetyl-3-hydroxy-4,4,4-trifluoro-3-(trifluoromethyl )-, ethyl ester
CAS REGISTRY NUMBER :
680-09-1
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C9-H10-F6-O4
MOLECULAR WEIGHT :
296.19
WISWESSER LINE NOTATION :
FXFFXQXFFFYV1&VO2

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 :
800 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 13,1215,1970
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 13,1215,1970

Related Compounds

  • 4-Chloro-5-(difluoromethyl)-2-fluoropyridine
  • 4-Chloro-6-(difluoromethyl)-3-hydroxypicolinic acid
  • 4-Amino-3-(difluoromethyl)-5-iodopyridine-2-sulfonyl chloride
  • 4-Amino-5-chloro-6-(difluoromethyl)pyridine-2-sulfonyl chloride
  • 4-Chloro-3-(trifluoromethoxy)benzene-1-sulfonyl chloride
  • 4-Bromo-6-fluoro-5-methylpyrimidine
  • 4-Bromo-3-fluoro-2-methylbenzaldehyde
  • 4-Bromo-2-(difluoromethyl)-5-methylnicotinoyl chloride
  • (4-Chloro-6-(difluoromethyl)-5-(trifluoromethyl)pyridin-2-yl)methanol
  • 4,5-Dichloro-2-phenylpyridine
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