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Merck
CN

469599

Ethyl chlorodifluoroacetate

98%

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About This Item

Linear Formula:
ClCF2CO2C2H5
CAS Number:
Molecular Weight:
158.53
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
206-850-0
MDL number:
Assay:
98%
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Quality Level

assay

98%

refractive index

n20/D 1.358 (lit.)

bp

96-97.5 °C (lit.)

density

1.252 g/mL at 25 °C (lit.)

functional group

chloro, ester, fluoro

SMILES string

CCOC(=O)C(F)(F)Cl

InChI

1S/C4H5ClF2O2/c1-2-9-3(8)4(5,6)7/h2H2,1H3

InChI key

GVCAWQUJCHZRCB-UHFFFAOYSA-N

General description

Ethyl chlorodifluoroacetate (ECDFA) undergoes Reformatskii reaction with various aldehydes in DMF. It reacts with phenylacetylene to afford ethyl α,α−difluoro-4-phenyl-3-butenoates.

Application

Ethyl chlorodifluoroacetate (ECDFA) may be used as a starting reagent in the synthesis of 3-gem-difluoro-2-ethoxy allylic alcohols.


pictograms

FlameCorrosion

signalword

Danger

hcodes

Hazard Classifications

Eye Dam. 1 - Flam. Liq. 2 - Skin Corr. 1B

Storage Class

3 - Flammable liquids

wgk

WGK 3

flash_point_f

64.4 °F - closed cup

flash_point_c

18 °C - closed cup

ppe

Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter

Regulatory Information

危险化学品

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A theoretical investigation on the kinetics and reactivity of the gas-phase reactions of ethyl chlorodifluoroacetate with OH radical and Cl atom at 298 K.
Mishra BK, et al.
Structural Chemistry, 25(2), 463-470 (2014)
Fluorine-containing organozinc reagents. IV.: Reformatskii-type reactions of chlorodifluoroacet1c acid derivatives.
Lang RW and Schaub B.
Tetrahedron Letters, 29(24), 2943-2946 (1988)
Synthesis of 3-gem-difluoro-2-ethoxy allylic alcohols from ethyl chlorodifluoroacetate.
Begue J-P, et al.
Tetrahedron Letters, 35(3), 6097-6100 (1994)



Global Trade Item Number

SKUGTIN
469599-25ML04061836692483