Malonic acid, (1-hydroxy-2,2,2-trifluoro-1-trifluoromethyl)ethyl-, diethyl ester
CAS 680-08-0 MFCD00680080
化学结构图
SMILES: CCOC(=O)C(C(=O)OCC)C(O)(C(F)(F)F)C(F)(F)F
化学属性
| Mol. Weight | 326.22 |
|---|---|
| Mol. Formula | C10H12F6O5 |
别名和识别编码
| Chemical Name | Malonic acid, (1-hydroxy-2,2,2-trifluoro-1-trifluoromethyl)ethyl-, diethyl ester |
|---|---|
| Chemicalbook ID | CB82430728 |
| Wiswesser Line Notation | FXFFXQXFFFYVO2&VO2 |
| Synonym | 1-Hydroxy-2,2,2-trifluoro-1-(trifluoromethyl)malonic acid diethyl ester |
| Beilstein Registry Number | 1915911 |
| CAS Number | 680-08-0 |
| InChIKey | HXVWSPYWLBVECZ-UHFFFAOYSA-N |
| PubChem Substance ID | 12677 |
| InChI | InChI=1S/C10H12F6O5/c1-3-20-6(17)5(7(18)21-4-2)8(19,9(11,12)13)10(14,15)16/h5,19H,3-4H2,1-2H3 |
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安全信息
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
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
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