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Merck
CN

151599

Trichloroacetyl chloride

99%

Synonym(s):

2,2,2-Trichloroacetyl chloride, Trichloroacetic acid chloride, Trichloroacetochloride

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About This Item

Linear Formula:
Cl3CCOCl
CAS Number:
76-02-8
Molecular Weight:
181.83
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24849149
EC Number:
200-926-7
Beilstein/REAXYS Number:
774120
MDL number:
MFCD00000792
Assay:
99%
Form:
liquid

Key Documents

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refractive index

n20/D 1.470 (lit.)

bp

114-116 °C (lit.)

mp

−57 °C (lit.)

density

1.629 g/mL at 25 °C (lit.)

functional group

acyl chloride, chloro

InChI key

PVFOMCVHYWHZJE-UHFFFAOYSA-N

InChI

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

SMILES string

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

vapor pressure

16 mmHg ( 20 °C)

assay

99%

form

liquid

Quality Level

200

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General description

Trichloroacetyl chloride, also known as 2,2,2-Trichloroacetyl chloride, is an asymmetric ketone that is commonly used as a source of chlorine atoms in laboratories and as an acylating agent to produce bis(trichloroacetyl) cyclic enamines.

Application

Trichloroacetyl chloride was used in the preparation of dihydro-1H-benzindoles. It was also used in the synthesis of 3-alkylbenzoxazolones.

signalword

Danger

flash_point_f

213.8 °F - open cup

flash_point_c

101 °C - open cup

ppe

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

pictograms

Skull and crossbonesCorrosion
GHS06,GHS05

Hazard Classifications

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

Storage Class

6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
SDBB5449
STBJ1769
STBG4836V
STBF8630V
STBD9326V

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Jianqiang Zhu et al.
The journal of physical chemistry. A, 121(36), 6800-6809 (2017-08-25)
Rate constants at room temperature (293 ± 2 K) and atmospheric pressure for the reaction of methyl n-propyl ether (MnPE), CH
Ram N Ram et al.
The Journal of organic chemistry, 78(23), 11935-11947 (2013-10-31)
Benzoxazolone pharmacophore is present in clinical pharmaceuticals, drug candidates, and many compounds having a wide spectrum of biological activities. The methods available for the synthesis of benzoxazolones have limited diversity due to problems in accessibility and air-sensitivity of diversely substituted
Gustavo P Silveira et al.
The Journal of organic chemistry, 78(7), 3379-3383 (2013-03-14)
The first examples of dihydro-1H-benzindoles by enantioselective γ-lactamization reaction of naphthyl sulfilimines with trichloroacetyl chloride in the presence of ZnCu as catalyst (≥98:2 er and 65-80% yields) are described. Products are obtained by [3,3]-sigmatropic rearrangement of the azasulfonium enolate or
B Roig et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 58(13), 2925-2930 (2002-12-13)
Within the framework of the monitoring of the trichloroacetylchloride (TCAC) photosynthesis, ultra-violet (UV) spectrophotometry is proposed as a simple and rapid tool allowing, in real time, the control of the process efficiency. A good correlation has been obtained between 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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