1-[(3-Nitrophenyl)sulfonyl]-1H-benzotriazole

CAS Registry Number®

1091-86-7
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CAS Name

1-[(3-Nitrophenyl)sulfonyl]-1H-benzotriazole

Molecular Formula

C12H8N4O4S

Molecular Mass

304.28

Cite this Page

1-[(3-Nitrophenyl)sulfonyl]-1H-benzotriazole.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1091-86-7 (retrieved 2024-09-09) (CAS RN: 1091-86-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    160-163 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C12H8N4O4S/c17-16(18)9-4-3-5-10(8-9)21(19,20)15-12-7-2-1-6-11(12)13-14-15/h1-8H

InChIKey

InChIKey=AJHZEBCUZCDBLL-UHFFFAOYSA-N

SMILES

S(=O)(=O)(N1C=2C(N=N1)=CC=CC2)C3=CC(N(=O)=O)=CC=C3

Canonical SMILES

O=N(=O)C1=CC=CC(=C1)S(=O)(=O)N2N=NC=3C=CC=CC32

Other Names for this Substance

  • 1H-Benzotriazole, 1-[(3-nitrophenyl)sulfonyl]-
  • 1H-Benzotriazole, 1-[(m-nitrophenyl)sulfonyl]-
  • 1-[(3-Nitrophenyl)sulfonyl]-1H-benzotriazole
  • 1-(3-Nitro-benzenesulfonyl)-1H-benzotriazole
  • 1-(3-Nitrophenyl)sulfonylbenzotriazole