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Sigma-Aldrich

Ethyl trichloroacetate

97%

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About This Item

Linear Formula:
Cl3CCO2CH2CH3
CAS Number:
515-84-4
Molecular Weight:
191.44
Beilstein:
1761567
EC Number:
208-212-7
MDL number:
MFCD00000795
UNSPSC Code:
12352100
PubChem Substance ID:
24850025
NACRES:
NA.22

Quality Level

200

Assay

97%

refractive index

n20/D 1.453 (lit.)

bp

168 °C (lit.)

solubility

alcohol: miscible(lit.)
diethyl ether: miscible(lit.)
water: insoluble(lit.)

density

1.378 g/mL at 25 °C (lit.)

SMILES string

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

InChI

1S/C4H5Cl3O2/c1-2-9-3(8)4(5,6)7/h2H2,1H3

InChI key

SJMLNDPIJZBEKY-UHFFFAOYSA-N

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General description

Ethyl trichloroacetate undergoes atom-transfer radical addition reaction with styrene catalyzed by the Ru-pentamethylcyclopentadienyl complexes.

Application

Ethyl trichloroacetate was used in the synthesis of dichlorocarbon precursor, phenyl(trichloromethyl)methyl.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H302,H315

Hazard Classifications

Acute Tox. 4 Oral - Skin Irrit. 2

Storage Class Code

10 - Combustible liquids

WGK

WGK 1

Flash Point(F)

163.4 °F - closed cup

Flash Point(C)

73 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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An Improved Synthesis of Phenyl (trichloro-methyl) mercury from Sodium Methoxide and Ethyl Trichloroacetate.
Schweizer EE and O'Neill GJ.
The Journal of Organic Chemistry, 28(3), 851-852 (1963)
Mariano A Fernández-Zúmel et al.
Chemistry (Weinheim an der Bergstrasse, Germany), 15(43), 11601-11607 (2009-09-15)
Kinetic and spectroscopic analyses were performed to gain information about the mechanism of atom-transfer radical reactions catalyzed by the complexes [RuCl2Cp*(PPh3)] and [RuClCp*(PPh3)2] (Cp*=pentamethylcyclopentadienyl), in the presence and in the absence of the reducing agent magnesium. The reactions of styrene

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