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151599

Sigma-Aldrich

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
Beilstein/REAXYS Number:
774120
EC Number:
200-926-7
MDL number:
MFCD00000792
UNSPSC Code:
12352100
PubChem Substance ID:
24849149
NACRES:
NA.22

vapor pressure

16 mmHg ( 20 °C)

Quality Level

200

assay

99%

form

liquid

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.)

SMILES string

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

InChI

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

InChI key

PVFOMCVHYWHZJE-UHFFFAOYSA-N

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Application

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

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_germany

WGK 3

flash_point_f

213.8 °F - open cup

flash_point_c

101 °C - open cup

ppe

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

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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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
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
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