467529
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
UNSPSC Code:
12352005
PubChem Substance ID:
MDL number:
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
signalword
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
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Gloves
Regulatory Information
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