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

3-[4-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-N,2,2-trimethylbutanamido]oxolane-3-carboxylic acid
2-({[3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)furan-2-yl]formamido}methyl)pentanoic acid
3-(3-Methoxy-4-nitrophenyl)-2-methylpropanoic acid
(2S,4R)-1-[2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)cyclohexanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
2-[3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanoyl]-2-azabicyclo[2.2.2]octane-6-carboxylic acid
4-{[2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-4-methyl-1,3-thiazol-5-yl]formamido}-3-hydroxybutanoic acid
3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-4-oxo-4-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-5-yl}butanoic acid
(2S)-3-(dimethylamino)-2-{[5-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-1-methyl-1H-pyrazol-3-yl]formamido}propanoic acid
(1RS,3SR)-3-[(3S)-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)pentanamido]cyclohexane-1-carboxylic acid
methyl 3-amino-2-(1,4-dimethyl-1H-pyrazol-3-yl)propanoate

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