1-Methyl 3-nitro-1,2-benzenedicarboxylate

CAS Registry Number®

21606-04-2

CAS Name

1-Methyl 3-nitro-1,2-benzenedicarboxylate

Molecular Formula

C9H7NO6

Molecular Mass

225.15

Cite this Page

1-Methyl 3-nitro-1,2-benzenedicarboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=21606-04-2 (retrieved 2024-12-20) (CAS RN: 21606-04-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    166-167 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H7NO6/c1-16-9(13)5-3-2-4-6(10(14)15)7(5)8(11)12/h2-4H,1H3,(H,11,12)

InChIKey

InChIKey=DJMQLZPEBHSABD-UHFFFAOYSA-N

SMILES

C(O)(=O)C1=C(C(OC)=O)C=CC=C1N(=O)=O

Canonical SMILES

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

Other Names for this Substance

  • 1,2-Benzenedicarboxylic acid, 3-nitro-, 1-methyl ester
  • Phthalic acid, 3-nitro-, 1-methyl ester
  • 1-Methyl 3-nitro-1,2-benzenedicarboxylate
  • 1-Methyl 3-nitrophthalate
  • 2-Methoxycarbonyl-6-nitrobenzoic acid

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