3-Bromobenzonitrile

CAS Registry Number®

6952-59-6

CAS Name

3-Bromobenzonitrile

Molecular Formula

C7H4BrN

Molecular Mass

182.02

Cite this Page

3-Bromobenzonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=6952-59-6 (retrieved 2024-11-24) (CAS RN: 6952-59-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    225 °C

  • Melting Point (1)

    39.5 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C7H4BrN/c8-7-3-1-2-6(4-7)5-9/h1-4H

InChIKey

InChIKey=STXAVEHFKAXGOX-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

N#CC=1C=CC=C(Br)C1

Other Names for this Substance

  • Benzonitrile, 3-bromo-
  • Benzonitrile, m-bromo-
  • 3-Bromobenzonitrile
  • m-Bromobenzonitrile
  • 1-Bromo-3-cyanobenzene

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