Dimethyl(trifluoromethyl)malonate 2-(三氟甲基)丙二酸二甲酯

CAS 5838-00-6 MFCD00482125

化学结构图

5838-00-6
SMILES: COC(=O)C(C(=O)OC)C(F)(F)F

化学属性

Mol. FormulaC6H7F3O4
Mol. Weight200.11
Boiling Point72.5-73 °C at 9 mmHg

别名和识别编码

Chemical NameDimethyl(trifluoromethyl)malonate
InChIKeyICCFDUWNCARZAE-UHFFFAOYSA-N
Synonym 2-(Trifluoromethyl)malonic acid dimethyl ester {LY} 2-(Trifluoromethyl)malonic acid dimethyl ester {} {LY} 2-(Trifluoromethyl)malonic acid dimethyl ester {} {} {LY} 2-(Trifluoromethyl)malonic acid dimethyl ester {} {} {} {LY} 2-(Trifluoromethyl)malonic acid dimethyl ester {} {} {} {} {LY} 2-(Trifluoromethyl)malonic acid dimethyl ester {} {} {} {} {} {LY} 2-(Trifluoromethyl)malonic acid dimethyl ester {} {} {} {} {} {} {LY} 2-(Trifluoromethyl)malonic acid dimethyl ester {} {} {} {} {} {} {} {LY} 2-(Trifluoromethyl)malonic acid dimethyl ester {} {} {} {} {} {} {} {} {LY} 2-(Trifluoromethyl)malonic acid dimethyl ester {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {LY} 2-(Trifluoromethyl)malonic acid dimethyl ester {} {} {} {} {} {} {} {} {} {} {LY} 2-(Trifluoromethyl)malonic acid dimethyl ester {} {} {} {} {} {} {} {} {} {} {} {LY} 2-(Trifluoromethyl)malonic acid dimethyl ester {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-(Trifluoromethyl)malonic acid dimethyl
Beilstein Registry Number1872705
CAS Number5838-00-6
PubChem Substance ID201364
InChIInChI=1S/C6H7F3O4/c1-12-4(10)3(5(11)13-2)6(7,8)9/h3H,1-2H3
Chemical Name Translation2-(三氟甲基)丙二酸二甲酯
LabNetwork Molecule IDLN04683452
Canonical SMILESCOC(=O)C(C(=O)OC)C(F)(F)F
MDL NumberMFCD00482125
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安全信息

RTECSOO1860000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1 gm/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: 13,1212,1970

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1 gm/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: 13,1212,1970

Storage condition

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Chemicals by Class 化学分类法
  4. Halogenated 卤化物 (氟氯溴碘)
  5. Fluoro 氟化物

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