5-Bromo-2-nitrobenzonitrile

CAS Registry Number®

89642-50-2

CAS Name

5-Bromo-2-nitrobenzonitrile

Molecular Formula

C7H3BrN2O2

Molecular Mass

227.01

Cite this Page

5-Bromo-2-nitrobenzonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=89642-50-2 (retrieved 2024-11-24) (CAS RN: 89642-50-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    115-117 °C

Source(s)

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=LCNNOEPOXHHUQG-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzonitrile, 5-bromo-2-nitro-
  • 5-Bromo-2-nitrobenzonitrile
  • NSC 263787

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