7-Nitro-1H-benzotriazole-5-carboxylic acid

CAS Registry Number®

333767-00-3
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CAS Name

7-Nitro-1H-benzotriazole-5-carboxylic acid

Molecular Formula

C7H4N4O4

Molecular Mass

208.13

Cite this Page

7-Nitro-1H-benzotriazole-5-carboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=333767-00-3 (retrieved 2024-07-07) (CAS RN: 333767-00-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    300 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C7H4N4O4/c12-7(13)3-1-4-6(9-10-8-4)5(2-3)11(14)15/h1-2H,(H,12,13)(H,8,9,10)

InChIKey

InChIKey=CICJYYXCHDFAHJ-UHFFFAOYSA-N

SMILES

N(=O)(=O)C1=C2C(=CC(C(O)=O)=C1)N=NN2

Canonical SMILES

O=C(O)C1=CC=2N=NNC2C(=C1)N(=O)=O

Other Names for this Substance

  • 1H-Benzotriazole-5-carboxylic acid, 7-nitro-
  • 7-Nitro-1H-benzotriazole-5-carboxylic acid