557447
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
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352005
MDL number:
Assay:
96%
InChI
1S/C8H4F3N3O/c9-8(10,11)7(15)14-6-4-2-1-3-5(6)12-13-14/h1-4H
SMILES string
FC(F)(F)C(=O)n1nnc2ccccc12
InChI key
GVQIQOIKWUOEJP-UHFFFAOYSA-N
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
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
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Gloves, type N95 (US)
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