Benzoic acid, 4-iodo-2-methyl-, methyl ester

CAS Registry Number®

103440-53-5
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CAS Name

Benzoic acid, 4-iodo-2-methyl-, methyl ester

Molecular Formula

C9H9IO2

Molecular Mass

276.07

Cite this Page

Benzoic acid, 4-iodo-2-methyl-, methyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=103440-53-5 (retrieved 2024-07-07) (CAS RN: 103440-53-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    155 °C @ Press: 17 Torr

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H9IO2/c1-6-5-7(10)3-4-8(6)9(11)12-2/h3-5H,1-2H3

InChIKey

InChIKey=AMTCFHNIEBPFLM-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C(OC)C1=CC=C(I)C=C1C

Other Names for this Substance

  • Benzoic acid, 4-iodo-2-methyl-, methyl ester
  • o-Toluic acid, 4-iodo-, methyl ester
  • Methyl 4-iodo-2-methylbenzoate