[2,2,2-Trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]malonic acid diethyl ester

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Names

[ CAS No. ]:
680-08-0

[ Name ]:
[2,2,2-Trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]malonic acid diethyl ester

Chemical & Physical Properties

[ Density]:
1.41g/cm3

[ Boiling Point ]:
294.7ºC at 760 mmHg

[ Molecular Formula ]:
C10H12F6O5

[ Molecular Weight ]:
326.19000

[ Flash Point ]:
132ºC

[ Exact Mass ]:
326.05900

[ PSA ]:
72.83000

[ LogP ]:
1.58450

[ Index of Refraction ]:
1.385

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
OO1280000
CHEMICAL NAME :
Malonic acid, (1-hydroxy-2,2,2-trifluoro-1-trifluoromethyl)ethyl-, diethyl ester
CAS REGISTRY NUMBER :
680-08-0
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C10-H12-F6-O5
MOLECULAR WEIGHT :
326.22
WISWESSER LINE NOTATION :
FXFFXQXFFFYVO2&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 :
1600 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 :
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

Related Compounds

  • 2-{[1-(1,3-Thiazole-4-carbonyl)piperidin-3-yl]methoxy}-3-(trifluoromethyl)pyridine
  • 2-(4-{4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}piperidin-1-yl)-6-(trifluoromethyl)pyridine
  • 6-{3-[(3-Bromopyridin-4-yl)oxy]pyrrolidine-1-carbonyl}-2-methyl-2,3-dihydropyridazin-3-one
  • 2-[4-[2-(Hydroxymethyl)pyrrolidin-1-yl]piperidin-1-yl]quinoline-4-carbonitrile
  • 1-(4-{[(5,6-dimethylpyrimidin-4-yl)oxy]methyl}piperidin-1-yl)-2-(1H-pyrazol-1-yl)ethan-1-one
  • 5-Methyl-2-{[1-(5-methyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]methoxy}pyrimidine
  • 6-(4-{[(6-Cyclopropylpyridazin-3-yl)oxy]methyl}piperidine-1-carbonyl)-2-methyl-2,3-dihydropyridazin-3-one
  • 2-[1-(6-Oxopiperidine-3-carbonyl)piperidin-4-yl]-6-phenylpyridazin-3-one
  • 2-{[1-(4-Methoxy-1-methyl-6-oxo-1,6-dihydropyridine-3-carbonyl)piperidin-3-yl]methoxy}pyridine-4-carbonitrile
  • 2-({1-[(3-Chlorophenyl)methyl]piperidin-4-yl}oxy)-5-methylpyrimidine
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