3-Amino-4-nitrobenzonitrile

CAS Registry Number®

99512-10-4

CAS Name

3-Amino-4-nitrobenzonitrile

Molecular Formula

C7H5N3O2

Molecular Mass

163.13

Cite this Page

3-Amino-4-nitrobenzonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=99512-10-4 (retrieved 2024-11-24) (CAS RN: 99512-10-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    128-131 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C7H5N3O2/c8-4-5-1-2-7(10(11)12)6(9)3-5/h1-3H,9H2

InChIKey

InChIKey=VKQPDHKSUIHUDF-UHFFFAOYSA-N

SMILES

N(=O)(=O)C1=C(N)C=C(C#N)C=C1

Canonical SMILES

N#CC1=CC=C(C(N)=C1)N(=O)=O

Other Names for this Substance

  • Benzonitrile, 3-amino-4-nitro-
  • 3-Amino-4-nitrobenzonitrile

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