5-Nitrobenzotriazole

CAS Registry Number®

2338-12-7

CAS Name

5-Nitrobenzotriazole

Molecular Formula

C6H4N4O2

Molecular Mass

164.12

Cite this Page

5-Nitrobenzotriazole.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=2338-12-7 (retrieved 2024-11-24) (CAS RN: 2338-12-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    217 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C6H4N4O2/c11-10(12)4-1-2-5-6(3-4)8-9-7-5/h1-3H,(H,7,8,9)

InChIKey

InChIKey=AOCDQWRMYHJTMY-UHFFFAOYSA-N

SMILES

N(=O)(=O)C=1C=C2C(=CC1)N=NN2

Canonical SMILES

O=N(=O)C=1C=CC=2N=NNC2C1

Other Names for this Substance

  • 1H-Benzotriazole, 6-nitro-
  • 1H-Benzotriazole, 5-nitro-
  • Benzotriazole, 5-nitro-
  • 6-Nitro-1H-benzotriazole
  • 6-Nitrobenzotriazole

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