3-Nitrobenzyl bromide

CAS Registry Number®

3958-57-4

CAS Name

3-Nitrobenzyl bromide

Molecular Formula

C7H6BrNO2

Molecular Mass

216.03

Cite this Page

3-Nitrobenzyl bromide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=3958-57-4 (retrieved 2024-11-21) (CAS RN: 3958-57-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    160-162 °C @ Press: 14 Torr

  • Melting Point (2)

    59.3 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C7H6BrNO2/c8-5-6-2-1-3-7(4-6)9(10)11/h1-4H,5H2

InChIKey

InChIKey=LNWXALCHPJANMJ-UHFFFAOYSA-N

SMILES

N(=O)(=O)C1=CC(CBr)=CC=C1

Canonical SMILES

O=N(=O)C1=CC=CC(=C1)CBr

Other Names for this Substance

  • Benzene, 1-(bromomethyl)-3-nitro-
  • Toluene, α-bromo-m-nitro-
  • 1-(Bromomethyl)-3-nitrobenzene
  • m-Nitrobenzyl bromide
  • α-Bromo-m-nitrotoluene

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration