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Key Documents

Safety Information

467529

Sigma-Aldrich

1H-Benzotriazole-1-acetonitrile

95%

Synonym(s):

Benzotriazol-1-ylacetonitrile

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About This Item

Empirical Formula (Hill Notation):
C8H6N4
CAS Number:
Molecular Weight:
158.16
MDL number:
UNSPSC Code:
12352005
PubChem Substance ID:

Assay

95%

reaction suitability

reaction type: C-C Bond Formation

mp

84-89 °C (lit.)

SMILES string

N#CCn1nnc2ccccc12

InChI

1S/C8H6N4/c9-5-6-12-8-4-2-1-3-7(8)10-11-12/h1-4H,6H2

InChI key

DIFOLZGBHRDEFT-UHFFFAOYSA-N

Application

Reactant for:
  • Hydrothermal reactions
  • Preparation of aminonaphthylacrylonitrile derivatives as green luminance dyes
  • Preparation of (aminomethyl)(cyanovinylphenyl)oxazolidinones with heterocyclic pendant as antibacterial agents
  • Cyclization reactions with sodium azide
  • Preparation of substituted triazoles (as antitumor agents) via rearrangement reaction followed by cycloaddition of corresponding (cyanomethyl)benzotriazole

Pictograms

Exclamation mark

Signal Word

Warning

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

PDSCL

Deleterious substance

JAN Code

467529-250MG:
467529-VAR:
467529-1G:4548173155449
467529-5G:4548173155456
467529-BULK:


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