Skip to Content
Merck
All Photos(1)

Documents

667552

Sigma-Aldrich

1-Acetyl-1H-benzotriazole

97%

Synonym(s):

1-Acetylbenzotriazole

Sign Into View Organizational & Contract Pricing
All Photos(1)

About This Item

Empirical Formula (Hill Notation):
C8H7N3O
CAS Number:
18773-93-8
Molecular Weight:
161.16
MDL number:
MFCD00461288
UNSPSC Code:
12352005
PubChem Substance ID:
329760316
NACRES:
NA.22

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
GHS07

Signal Word

Warning

Hazard Statements

H302

Hazard Classifications

Acute Tox. 4 Oral

Storage Class Code

13 - Non Combustible Solids

WGK

WGK 3

Flash Point(F)

>230.0 °F

Flash Point(C)

> 110 °C

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

Stereoselective and regioselective synthesis of N-substituted methyl 2-((azolyl) methyl)-3-arylacrylates from Baylis-Hillman acetates
AK OZENC, et al.
Turkish Journal of Chemistry, 41(3), 323-334 (2017)
Catalyst-and organic solvent-free synthesis of thioacids in water
Elagawany M, et al.
Tetrahedron Letters, 60(30), 2018-2021 (2019)
Cu-catalyzed arylation of 1-acyl-1H-1, 2, 3-Benzotriazoles via C-N activation
Zhang W, et al.
Journal of Organometallic Chemistry, 895, 64-67 (2019)

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service