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About This Item
Empirical Formula (Hill Notation):
C8H6N4
CAS Number:
Molecular Weight:
158.16
UNSPSC Code:
12352200
NACRES:
NA.22
PubChem Substance ID:
MDL number:
Beilstein/REAXYS Number:
4978502
InChI
1S/C8H6N4/c9-5-7-1-3-8(4-2-7)6-11-12-10/h1-4H,6H2
SMILES string
[N-]=[N+]=NCc1ccc(cc1)C#N
InChI key
GWVIVHINAVAKKV-UHFFFAOYSA-N
assay
≥97.0% (HPLC)
form
liquid
reaction suitability
reaction type: click chemistry
concentration
~0.5 M in tert-butyl methyl ether
impurities
≤2.0% water
storage temp.
2-8°C
signalword
Danger
hcodes
pcodes
Hazard Classifications
Flam. Liq. 2 - Skin Irrit. 2
Storage Class
3 - Flammable liquids
wgk
WGK 3
flash_point_f
-22.0 °F
flash_point_c
-30 °C
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Microwave-assisted benzyne-click chemistry: preparation of 1H-benzo[d][1,2,3]triazoles
Ankatia, H. and Biehl, E.
Tetrahedron Letters, 50, 4677-4682 (2009)
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