Methyl 3-(bromomethyl)benzoate

CAS Registry Number®

1129-28-8

CAS Name

Methyl 3-(bromomethyl)benzoate

Molecular Formula

C9H9BrO2

Molecular Mass

229.07

Cite this Page

Methyl 3-(bromomethyl)benzoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1129-28-8 (retrieved 2024-11-21) (CAS RN: 1129-28-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    112-114 °C @ Press: 3 Torr

  • Melting Point (1)

    46-47 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H9BrO2/c1-12-9(11)8-4-2-3-7(5-8)6-10/h2-5H,6H2,1H3

InChIKey

InChIKey=YUHSMQQNPRLEEJ-UHFFFAOYSA-N

SMILES

C(OC)(=O)C1=CC(CBr)=CC=C1

Canonical SMILES

O=C(OC)C1=CC=CC(=C1)CBr

Other Names for this Substance

  • Benzoic acid, 3-(bromomethyl)-, methyl ester
  • m-Toluic acid, α-bromo-, methyl ester
  • m-Carbomethoxybenzyl bromide
  • Methyl 3-(bromomethyl)benzoate
  • Methyl α-bromo-m-toluate

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Deleted or Replaced CAS Registry Numbers

2223039-95-8

CAS INSIGHTSTM
Targeted protein degrader structure, illustration