[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

  • 1-(1-Amino-3,3-difluorocyclopentyl)-3-fluoropropan-2-ol
  • 3-(1-Amino-2-methylpropyl)-5,5-dimethyloxolan-3-ol
  • 1-Fluoro-3-[(3-fluorocyclobutyl)amino]propan-2-ol
  • 1-Fluoro-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propan-2-ol
  • 5-(difluoromethyl)-1-(4-methoxybutyl)-1H-1,2,3-triazole-4-carboxamide
  • bis(propan-2-yl)-1H-1,2,3-triazole-4-carboxamide
  • 5-(cyclopropylmethyl)-1-(3-methylbutyl)-1H-1,2,3-triazole-4-carbothioamide
  • 2-[1-(1-cyclopropylethyl)-5-(oxolan-3-yl)-1H-1,2,3-triazol-4-yl]acetamide
  • 2-[1-ethyl-5-(2-methoxyethyl)-1H-1,2,3-triazol-4-yl]acetamide
  • 2-(1-cyclohexyl-5-cyclopentyl-1H-1,2,3-triazol-4-yl)acetamide
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