Benzoic acid, 3-(chloromethyl)-, ethyl ester

CAS Registry Number®

54589-54-7

CAS Name

Benzoic acid, 3-(chloromethyl)-, ethyl ester

Molecular Formula

C10H11ClO2

Molecular Mass

198.65

Cite this Page

Benzoic acid, 3-(chloromethyl)-, ethyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=54589-54-7 (retrieved 2024-11-22) (CAS RN: 54589-54-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    168-169 °C @ Press: 25 Torr

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C10H11ClO2/c1-2-13-10(12)9-5-3-4-8(6-9)7-11/h3-6H,2,7H2,1H3

InChIKey

InChIKey=ZJNVMXXFCNKXLT-UHFFFAOYSA-N

SMILES

C(OCC)(=O)C1=CC(CCl)=CC=C1

Canonical SMILES

O=C(OCC)C1=CC=CC(=C1)CCl

Other Names for this Substance

  • Benzoic acid, 3-(chloromethyl)-, ethyl ester
  • Ethyl m-(chloromethyl)benzoate
  • Ethyl 3-chloromethylbenzoate

CAS INSIGHTSTM
Targeted protein degrader structure, illustration