467529

1H-Benzotriazole-1-acetonitrile

95%

• Synonym(s): Benzotriazol-1-ylacetonitrile
• Empirical Formula (Hill Notation): C₈H₆N₄
• CAS Number: 111198-08-4
• Molecular Weight: 158.16
• MDL number: MFCD00082568
• UNSPSC Code: 12352005
• PubChem Substance ID: 24870420

Properties

• 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

Description

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

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H302 + H312 + H332,H315,H319,H335
• pcodes: P261 - P280 - P301 + P312 - P302 + P352 + P312 - P304 + P340 + P312 - P305 + P351 + P338
• 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: 11 - Combustible Solids
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable
• ppe: dust mask type N95 (US), Eyeshields, Gloves