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Merck
CN

667552

1-Acetyl-1H-benzotriazole

97%

Synonym(s):

1-Acetylbenzotriazole

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About This Item

Empirical Formula (Hill Notation):
C8H7N3O
CAS Number:
Molecular Weight:
161.16
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352005
MDL number:
Assay:
97%
Form:
solid
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assay

97%

form

solid

reaction suitability

reaction type: C-C Bond Formation

mp

46-50 °C

SMILES string

CC(=O)n1nnc2ccccc12

InChI

1S/C8H7N3O/c1-6(12)11-8-5-3-2-4-7(8)9-10-11/h2-5H,1H3

InChI key

NIIUIBKEGRPPDK-UHFFFAOYSA-N

Application

1-Acetyl-1H-benzotriazole can be used as a reactant for the preparation of:
  • 1-aryl-1H-1,2,3-benzotriazoles by reacting with diaryliodonium salts via C-N activation reaction.
  • N-substituted-2-((1- and 2-benzotriazolyl)methyl)-3-acrylates by treating with Baylis-Hillman acetate in the presence of K2CO3.
  • Thioacids and thioamino acids by thiolysis in presence of sodium hydrosulfide (NaSH) in water.

Reactant for:
  • Preparation of N-acyl imidazolidinones by acylation of imidazolidinone, in the presence of K2CO3
  • Acylation of cellulose in DMSO/tetrabutylammonium fluoride trihydrate


pictograms

Exclamation mark

signalword

Warning

hcodes

Hazard Classifications

Acute Tox. 4 Oral

Storage Class

13 - Non Combustible Solids

wgk

WGK 3

flash_point_f

>230.0 °F

flash_point_c

> 110 °C

ppe

dust mask type N95 (US), Eyeshields, Faceshields, Gloves



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