3-Bromo-5-nitrobenzonitrile

CAS Registry Number®

49674-15-9
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CAS Name

3-Bromo-5-nitrobenzonitrile

Molecular Formula

C7H3BrN2O2

Molecular Mass

227.01

Cite this Page

3-Bromo-5-nitrobenzonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=49674-15-9 (retrieved 2024-09-09) (CAS RN: 49674-15-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    84-85 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=RQGCXODNTLHVQJ-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzonitrile, 3-bromo-5-nitro-
  • 3-Bromo-5-nitrobenzonitrile
  • 3-Nitro-5-bromobenzonitrile