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557447

Sigma-Aldrich

1-(Trifluoromethyl)acetylbenzotriazole

96%, mixture of Bt1 and Bt2 isomers

Synonym(s):

1-Benzotriazol-1-yl-2,2,2-trifluoroethanone, N-Trifluoroacetylbenzotriazole, TFABI

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About This Item

Empirical Formula (Hill Notation):
C8H4F3N3O
CAS Number:
Molecular Weight:
215.13
MDL number:
UNSPSC Code:
12352005
PubChem Substance ID:
NACRES:
NA.22

assay

96%

composition

mixture of Bt1 and Bt2 isomers

reaction suitability

reaction type: C-C Bond Formation

mp

66-70 °C (lit.)

functional group

fluoro

SMILES string

FC(F)(F)C(=O)n1nnc2ccccc12

InChI

1S/C8H4F3N3O/c9-8(10,11)7(15)14-6-4-2-1-3-5(6)12-13-14/h1-4H

InChI key

GVQIQOIKWUOEJP-UHFFFAOYSA-N

Application

Reactant for:
  • Defluorination dimerization reactions mediated by single electron transfer (SET) reagent, sodium naphthalenide
  • Preparation of scaffolds endowed with anticancer activity against breast cancer cells
  • Synthesis of aspartylglycine dipeptide mimetic
  • Coupling reactions for synthesis of carboxylic acid esters
  • Trifluoroacetylation reactions (Trifluoroacetylating agent)

Storage Class

11 - Combustible Solids

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)


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