1-Methyl 5-nitro-1,3-benzenedicarboxylate

CAS Registry Number®

1955-46-0
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CAS Name

1-Methyl 5-nitro-1,3-benzenedicarboxylate

Molecular Formula

C9H7NO6

Molecular Mass

225.15

Cite this Page

1-Methyl 5-nitro-1,3-benzenedicarboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=1955-46-0 (retrieved 2024-04-29) (CAS RN: 1955-46-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    175-179 °C

Source(s)

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=ZCRNIIJXDRYWDU-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C(O)C=1C=C(C=C(C1)N(=O)=O)C(=O)OC

Other Names for this Substance

  • 1,3-Benzenedicarboxylic acid, 5-nitro-, 1-methyl ester
  • Isophthalic acid, 5-nitro-, monomethyl ester
  • 1,3-Benzenedicarboxylic acid, 5-nitro-, monomethyl ester
  • Isophthalic acid, 5-nitro-, methyl ester
  • 1-Methyl 5-nitro-1,3-benzenedicarboxylate

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