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Merck
CN

80521

Trichloroacetyl chloride

for GC derivatization, derivatization grade (GC derivatization), ≥98.5%

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About This Item

Linear Formula:
Cl3CCOCl
CAS Number:
76-02-8
Molecular Weight:
181.83
UNSPSC Code:
12352200
NACRES:
NA.22
PubChem Substance ID:
329768921
EC Number:
200-926-7
Beilstein/REAXYS Number:
774120
MDL number:
MFCD00000792

Key Documents

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Product Name

Trichloroacetyl chloride, for GC derivatization, derivatization grade (GC derivatization), ≥98.5%

InChI

1S/C2Cl4O/c3-1(7)2(4,5)6

InChI key

PVFOMCVHYWHZJE-UHFFFAOYSA-N

SMILES string

ClC(=O)C(Cl)(Cl)Cl

grade

derivatization grade (GC derivatization)

vapor pressure

16 mmHg ( 20 °C)

assay

≥98.5%
98.5-101.5% (AT)

form

liquid

reaction suitability

reagent type: derivatization reagent
reaction type: Acylations

refractive index

n20/D 1.470 (lit.)
n20/D 1.470-1.472

bp

114-116 °C (lit.)

mp

−57 °C (lit.)

density

1.629 g/mL at 25 °C (lit.)

Quality Level

100

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pictograms

CorrosionExclamation mark
GHS05,GHS07

signalword

Danger

hcodes

H302,H314

Hazard Classifications

Acute Tox. 4 Oral - Eye Dam. 1 - Skin Corr. 1A

Storage Class

8A - Combustible corrosive hazardous materials

wgk

WGK 3

flash_point_f

213.8 °F - open cup

flash_point_c

101 °C - open cup

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
BCBT8232

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Taigo Kashiwabara et al.
The Journal of organic chemistry, 74(24), 9433-9439 (2009-11-20)
Chlorinative dimerization of terminal alkynes with trichloroacetyl chloride as chlorine donor proceeds in the presence of rhodium catalysts to give (Z,Z)-1,4-dichloro-1,3-butadienes stereoselectively. Ligand screening has revealed that reactions using sterically bulky and electron-donating ligands like trimesitylphosphine are high yielding. The
D Reichert et al.
Mutation research, 117(1-2), 21-29 (1983-04-01)
Dichloroacetylene (DCA) is a highly reactive compound that decomposes rapidly in contact with air into a series of chlorinated aliphatic hydrocarbons (e.g., phosgene, trichloroacetyl chloride, trichloroacryloyl chloride and hexachlorobutadiene). Experiments were performed to compare the mutagenic properties of DCA and
A M Saillenfait et al.
Archives of toxicology, 70(2), 71-82 (1995-01-01)
The embryotoxicity of trichloroethylene (TRI), tetrachloroethylene (PER), and of four of their oxidative metabolites i.e. trichloroacetic acid, dichloroacetic acid, chloral hydrate, and trichloroacetyl chloride, was studied in vitro, using the rat whole embryo culture system. Embryos from Sprague-Dawley rats were
Hülya Senöz et al.
Chemical & pharmaceutical bulletin, 51(4), 444-447 (2003-04-04)
The pyrrolidine and morpholine enamines of cyclic ketones such as cyclohexanone and cyclopentanone were successfully diacetylated at alpha- and alpha'-positions with trichloroacetyl chloride using zinc catalyst. Morpholine enamines of the cyclic ketones gave acetylated morpholine in good yields besides the
E Eliasson et al.
Chemico-biological interactions, 116(1-2), 123-141 (1999-01-07)
Halothane hepatitis occurs because susceptible patients mount immune responses to trifluoroacetylated protein antigens, formed following cytochrome P450-mediated bioactivation of halothane to trifluoroacetyl chloride. In the present study, an in vitro approach has been used to investigate the cytochrome P450 isozyme(s)
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