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

CAS 680-09-1 MFCD00680091

化学结构图

680-09-1
SMILES: CCOC(=O)C(C(C)=O)C(O)(C(F)(F)F)C(F)(F)F

化学属性

Mol. Weight296.19
Mol. FormulaC9H10F6O4

别名和识别编码

Chemical NameButyric acid, 2-acetyl-3-hydroxy-4,4,4-trifluoro-3-(trifluoromethyl)-, ethyl ester
Chemicalbook IDCB42326472
Wiswesser Line NotationFXFFXQXFFFYV1&VO2
Synonym 2-Acetyl-3-hydroxy-4,4,4-trifluoro-3-(trifluoromethyl)butyric acid ethyl
Beilstein Registry Number1914874
CAS Number680-09-1
InChIKeyQSJYRVSERRYRMJ-UHFFFAOYSA-N
PubChem Substance ID12678
InChIInChI=1S/C9H10F6O4/c1-3-19-6(17)5(4(2)16)7(18,8(10,11)12)9(13,14)15/h5,18H,3H2,1-2H3
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安全信息

RTECSES5730000
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

系列性分类


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