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559245

Ethyl (3-trifluoromethylbenzoyl)acetate

97%

Synonym(s):

3-(3-Trifluoromethylphenyl)-3-oxo-propionic acid ethyl ester, Ethyl 2-(3-trifluoromethylbenzoyl)acetate, Ethyl 3-(3-trifluoromethylphenyl)-3-oxopropanoate

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About This Item

Linear Formula:
CF3C6H4COCH2CO2C2H5
CAS Number:
1717-42-6
Molecular Weight:
260.21
NACRES:
NA.22
PubChem Substance ID:
24879808
UNSPSC Code:
12352100
MDL number:
MFCD03424819
Assay:
97%
Form:
liquid
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assay

97%

form

liquid

refractive index

n20/D 1.4850 (lit.)

bp

250-251 °C (lit.)

density

1.267 g/mL at 25 °C (lit.)

functional group

ester, fluoro, ketone

SMILES string

CCOC(=O)CC(=O)c1cccc(c1)C(F)(F)F

InChI

1S/C12H11F3O3/c1-2-18-11(17)7-10(16)8-4-3-5-9(6-8)12(13,14)15/h3-6H,2,7H2,1H3

InChI key

YCHPVUWFIZXXPI-UHFFFAOYSA-N

Application

Reactant for:
  • Preparation of pyrido[1,2-a]benzimidazoles as cytotoxic and antiplasmodial agent
  • Preparation of diaryl-substituted pyrazoles as potent CCR2 receptor antagonists
  • Acid-catalyzed addition/annulation reactions
  • Cyclocondensation with diaminophenylpyrazole

Storage Class

10 - Combustible liquids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

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