4-Bromo-2-nitrobenzonitrile

CAS Registry Number®

79603-03-5
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CAS Name

4-Bromo-2-nitrobenzonitrile

Molecular Formula

C7H3BrN2O2

Molecular Mass

227.01

Cite this Page

4-Bromo-2-nitrobenzonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=79603-03-5 (retrieved 2024-08-04) (CAS RN: 79603-03-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    98-99 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C7H3BrN2O2/c8-6-2-1-5(4-9)7(3-6)10(11)12/h1-3H

InChIKey

InChIKey=IOBYLOUUUJPZEO-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

N#CC1=CC=C(Br)C=C1N(=O)=O

Other Names for this Substance

  • Benzonitrile, 4-bromo-2-nitro-
  • 4-Bromo-2-nitrobenzonitrile
  • NSC 158356