α-Bromobenzeneacetonitrile

CAS Registry Number®

5798-79-8

CAS Name

α-Bromobenzeneacetonitrile

Molecular Formula

C8H6BrN

Molecular Mass

196.04

Cite this Page

α-Bromobenzeneacetonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5798-79-8 (retrieved 2024-11-24) (CAS RN: 5798-79-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    242 °C @ Press: 760 Torr

  • Melting Point (1)

    29 °C

  • Density (1)

    1.539 g/cm³ @ Temp: 29 °C

Source(s)

  • (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)

Other Names and Identifiers

InChI

InChI=1S/C8H6BrN/c9-8(6-10)7-4-2-1-3-5-7/h1-5,8H

InChIKey

InChIKey=XUHFBOUSHUEAQZ-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

N#CC(Br)C=1C=CC=CC1

Other Names for this Substance

  • Benzeneacetonitrile, α-bromo-
  • Acetonitrile, bromophenyl-
  • α-Bromobenzeneacetonitrile
  • α-Bromobenzyl cyanide
  • α-Bromo-α-tolunitrile

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