Methyl 3-iodobenzoate

CAS Registry Number®

618-91-7

CAS Name

Methyl 3-iodobenzoate

Molecular Formula

C8H7IO2

Molecular Mass

262.04

Cite this Page

Methyl 3-iodobenzoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=618-91-7 (retrieved 2024-11-22) (CAS RN: 618-91-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    277 °C

  • Melting Point (1)

    54.5 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C8H7IO2/c1-11-8(10)6-3-2-4-7(9)5-6/h2-5H,1H3

InChIKey

InChIKey=NPXOIGSBRLCOSD-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzoic acid, 3-iodo-, methyl ester
  • Benzoic acid, m-iodo-, methyl ester
  • Methyl m-iodobenzoate
  • Methyl 3-iodobenzoate
  • 3-(Methoxycarbonyl)iodobenzene

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