Benzoic acid, 3-chloro-5-iodo-, methyl ester

CAS Registry Number®

289039-85-6

CAS Name

Benzoic acid, 3-chloro-5-iodo-, methyl ester

Molecular Formula

C8H6ClIO2

Molecular Mass

296.49

Cite this Page

Benzoic acid, 3-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=289039-85-6 (retrieved 2024-11-27) (CAS RN: 289039-85-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    43-44 °C

Source(s)

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=ZDSIXLJPASGHDW-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C(OC)C=1C=C(Cl)C=C(I)C1

Other Names for this Substance

  • Benzoic acid, 3-chloro-5-iodo-, methyl ester
  • Methyl 3-chloro-5-iodobenzoate

CAS INSIGHTSTM
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