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Safety Information

217344

Sigma-Aldrich

Trichloroacetamide

99%

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Linear Formula:
Cl3CCONH2
CAS Number:
Molecular Weight:
162.40
Beilstein:
1754028
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:

Assay

99%

form

solid

bp

238-240 °C (lit.)

mp

139-141 °C (lit.)

SMILES string

NC(=O)C(Cl)(Cl)Cl

InChI

1S/C2H2Cl3NO/c3-2(4,5)1(6)7/h(H2,6,7)

InChI key

UPQQXPKAYZYUKO-UHFFFAOYSA-N

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General description

Trichloroacetamide is the major degradation product of trichloroacetonitrile.

Application

Trichloroacetamide was used in microarray-based transcriptomics and one-dimensional proton nuclear magnetic resonance based metabonomics to investigate the health effects of nitrogenous disinfection byproducts of trichloroacetamide in mice.

Pictograms

Exclamation mark

Signal Word

Warning

Hazard Statements

Precautionary Statements

Hazard Classifications

Eye Irrit. 2

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Nihan Celebi-Olçüm et al.
The Journal of organic chemistry, 74(18), 6944-6952 (2009-08-20)
Density functional theory calculations were used to investigate the [3,3]- and [1,3]-shifts of O-allylic trichloroacetimidates in the presence of cinchona alkaloids. Thermal [1,3]- and [3,3]-rearrangements proceed through concerted pseudopericyclic transition states to give the corresponding rearranged products. [1,3]-Rearrangement is catalyzed
Yan Zhang et al.
Environmental science & technology, 47(6), 2918-2924 (2013-02-15)
Microarray-based transcriptomics and one-dimensional proton nuclear magnetic resonance ((1)H NMR) based metabonomics approaches were employed to investigate the health effects of nitrogenous disinfection byproducts (N-DBPs) of trichloroacetamide (TCAcAm) on mice. Mice were exposed to TCAcAm at concentrations of 50, 500
Jeffrey S Arnold et al.
Organic letters, 12(20), 4580-4583 (2010-09-17)
The use of unactivated aromatic amines in the rhodium-catalyzed regioselective amination of secondary allylic trichloroacetimidates is explored. The desired N-arylamines are obtained in high yields and regioselectivity, favoring the branched amination products. The presence of the trichloroacetimidate leaving group was
Tatsuya Komori et al.
Carbohydrate research, 344(12), 1453-1463 (2009-06-30)
A first systematic synthesis of the glycan parts of the a-series gangliosides (GT1a, GD1a, and GM1) utilizing the newly developed N-Troc-protected GM3 and galactosaminyl building blocks is described. The key processes, including the assembly of the GM2 sequence and its
Peter J Meloncelli et al.
Carbohydrate research, 346(12), 1406-1426 (2011-05-03)
The ABO histo-blood group antigens are best known for their important roles in solid organ and bone marrow transplantation as well as transfusion medicine. Here we report the synthesis of the ABO type III and IV antigens with a 7-octen-1-yl

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