[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

  • 6-(2,8-Diazaspiro[4.5]decan-2-yl)nicotinonitrile
  • (2S,5S)-1-tert-butyl 2-ethyl 5-(2-chloro-5-(trifluoromethyl)phenyl)pyrrolidine-1,2-dicarboxylate
  • 2-(4-(Methylsulfonyl)phenyl)-2,8-diazaspiro[4.5]decane
  • 3-[1-(Hydroxymethyl)-5-oxo-3-pyrrolidinyl]benzonitrile
  • 3-[1-(Chloromethyl)-5-oxo-3-pyrrolidinyl]benzonitrile
  • 5-Bromo-2-methyl-1,7-naphthyridine-3-carboxylic acid
  • Ethyl 5-(4-chlorophenyl)-1,7-naphthyridine-3-carboxylate
  • 4-(3-(benzyloxy)phenyl)-1H-imidazole
  • 3-(4-Fluorobenzyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride
  • Methyl 7-hydroxypyrazolo[1,5-a]pyrimidine-6-carboxylate