Methyl 2-iodo-6-nitrobenzoate

CAS Registry Number®

5471-78-3

CAS Name

Methyl 2-iodo-6-nitrobenzoate

Molecular Formula

C8H6INO4

Molecular Mass

307.04

Cite this Page

Methyl 2-iodo-6-nitrobenzoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5471-78-3 (retrieved 2024-10-07) (CAS RN: 5471-78-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    94 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C8H6INO4/c1-14-8(11)7-5(9)3-2-4-6(7)10(12)13/h2-4H,1H3

InChIKey

InChIKey=MQGSUXFZAANPQE-UHFFFAOYSA-N

SMILES

C(OC)(=O)C1=C(N(=O)=O)C=CC=C1I

Canonical SMILES

O=C(OC)C=1C(I)=CC=CC1N(=O)=O

Other Names for this Substance

  • Benzoic acid, 2-iodo-6-nitro-, methyl ester
  • Methyl 2-iodo-6-nitrobenzoate
  • NSC 28453
  • 2-Iodo-6-nitrobenzoic acid methyl ester

CAS INSIGHTSTM
© Nobel Prize Outreach. Photo: Hugh Fox