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Ethyl 2-(ethoxymethylene)-4,4,4-trifluoro-3-oxobutyrate,mixture of cis and trans

ALDRICH/441236 - 96%

CAS Number: 571-55-1
Empirical Formula (Hill Notation): C9H11F3O4
Molecular Weight: 240.18
MDL Number: MFCD02677683
Linear Formula: CF3COC(=CHOC2H5)CO2C2H5
Product Type: Chemical
Catalog Number PKG Qty. Price Quantity
45-441236-10G 10 g
 $83.80
1/EA		 Add To Favorites
This picture is provided solely for illustration purposes, it may have been created or edited with AI. Optical properties of the actual product may deviate. Relevant product information is printed on labeled products and other accompanying or available information material. This image depicts SKU: 441236-10G

 

assay 96%
bp 80-82 °C/1 mmHg (lit.)
density 1.235 g/mL at 25 °C (lit.)
form liquid
functional group ester
  ether
  fluoro
  ketone
InChI 1S/C9H11F3O4/c1-3-15-5-6(8(14)16-4-2)7(13)9(10,11)12/h5H,3-4H2,1-2H3/b6-5+
InChI key XNGGOXOLHQANRB-AATRIKPKSA-N
Quality Level 100 
refractive index n20/D 1.429 (lit.)
SMILES string CCOC=C(C(=O)OCC)C(=O)C(F)(F)F
storage temp. 2-8°C
Application: Ethyl 2-(ethoxymethylene)-4,4,4-trifluoro-3-oxobutyrate may be employed as a starting reagent for the synthesis of 1-methyl-3-trifluoromethyl-1H-pyrazole-4- carboxylic acid.
General description: Ethyl 2-(ethoxymethylene)-4,4,4-trifluoro-3-oxobutyrate has been reported to participate in the microwave-assisted synthesis of ethyl 1-[4-(2,3,3-trichloroacrylamido)phenyl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate.
Packaging: 10 g in glass bottle
RIDADR NONH for all modes of transport
WGK Germany WGK 3
Flash Point(F) 219.2 °F - closed cup
Flash Point(C) 104.00 °C - closed cup
Purity 96%
bp 80-82 °C/1 mmHg (lit.)
Density 1.235 g/mL at 25 °C (lit.)
Refractive Index n20/D 1.429 (lit.)
Storage Temp. 2-8°C
UNSPSC 12352100

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