Benzoic acid, 2-chloro-5-iodo-, methyl ester

CAS Registry Number®

620621-48-9
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CAS Name

Benzoic acid, 2-chloro-5-iodo-, methyl ester

Molecular Formula

C8H6ClIO2

Molecular Mass

296.49

Cite this Page

Benzoic acid, 2-chloro-5-iodo-, methyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=620621-48-9 (retrieved 2024-09-09) (CAS RN: 620621-48-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    40-42 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C8H6ClIO2/c1-12-8(11)6-4-5(10)2-3-7(6)9/h2-4H,1H3

InChIKey

InChIKey=DLSYOOCTSGXXCP-UHFFFAOYSA-N

SMILES

C(OC)(=O)C1=C(Cl)C=CC(I)=C1

Canonical SMILES

O=C(OC)C1=CC(I)=CC=C1Cl

Other Names for this Substance

  • Benzoic acid, 2-chloro-5-iodo-, methyl ester
  • 2-Chloro-5-iodobenzoic acid methyl ester
  • Methyl 2-chloro-5-iodobenzoate