3-Bromo-ε-oxobenzenehexanenitrile

CAS Registry Number®

884504-64-7
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CAS Name

3-Bromo-ε-oxobenzenehexanenitrile

Molecular Formula

C12H12BrNO

Molecular Mass

266.13

Cite this Page

3-Bromo-ε-oxobenzenehexanenitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=884504-64-7 (retrieved 2024-07-08) (CAS RN: 884504-64-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    110-111 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C12H12BrNO/c13-11-6-4-5-10(9-11)12(15)7-2-1-3-8-14/h4-6,9H,1-3,7H2

InChIKey

InChIKey=UKTLGIJCGDBFOT-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzenehexanenitrile, 3-bromo-ε-oxo-
  • 3-Bromo-ε-oxobenzenehexanenitrile