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Structure

1-(Trifluoromethyl)acetylbenzotriazole,96%(mixture of bt1 and bt2 isomers)

CAS
183266-61-7
Catalog Number
ACM183266617
Category
Other Products
Molecular Weight
215.13
Molecular Formula
C8H4F3N3O

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Specification

Synonyms
1-(trifluoroacetyl)-1H-benzotriazole, 1-(Trifluoromethyl)acetylbenzotriazole, 183266-61-7, TFABI, AC1MNUIK, SureCN4963445, N-Trifluoroacetylbenzotriazole, 557447_ALDRICH, ZINC02566723, 1h-benzotriazole,1-(trifluoroacetyl)-, AKOS015889203, KB-204864, 1-Benzotriazol-1-yl-2,2,2-trifluoroethanone, 1-Benzotriazole-1-yl-2,2,2-trifluoroethanone, 1-(benzotriazol-1-yl)-2,2,2-trifluoroethanone, I01-16830
IUPAC Name
1-(benzotriazol-1-yl)-2,2,2-trifluoroethanone
Canonical SMILES
C1=CC=C2C(=C1)N=NN2C(=O)C(F)(F)F
InChI Key
GVQIQOIKWUOEJP-UHFFFAOYSA-N
Boiling Point
243.8ºC at 760 mmHg
Melting Point
66-70ºC(lit.)
Flash Point
101.3ºC
Density
1.58g/cm³
Exact Mass
215.03100
H-Bond Acceptor
6
H-Bond Donor
0
WGK Germany
3

Downstream Synthesis Route 1

  • 110-89-4
  • 183266-61-7
  • 95-14-7
  • 340-07-8

Reference: [1]Katritzky, Alan R.; Yang, Baozhen; Semenzin, Delphine
[Journal of Organic Chemistry, 1997, vol. 62, # 3, p. 726 - 728]

Downstream Synthesis Route 2

  • 75-64-9
  • 183266-61-7
  • 95-14-7
  • 1960-29-8

Reference: [1]Katritzky, Alan R.; Yang, Baozhen; Semenzin, Delphine
[Journal of Organic Chemistry, 1997, vol. 62, # 3, p. 726 - 728]

Downstream Synthesis Route 3

  • 62-53-3
  • 183266-61-7
  • 404-24-0

Reference: [1]Journal of Carbohydrate Chemistry,2010,vol. 29,p. 61 - 75

* For details of the synthesis route, please refer to the original source to ensure accuracy.

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