Dimethyl 5-nitroisophthalate

CAS Registry Number®

13290-96-5
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CAS Name

Dimethyl 5-nitroisophthalate

Molecular Formula

C10H9NO6

Molecular Mass

239.18

Cite this Page

Dimethyl 5-nitroisophthalate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=13290-96-5 (retrieved 2024-04-29) (CAS RN: 13290-96-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    118-121 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C10H9NO6/c1-16-9(12)6-3-7(10(13)17-2)5-8(4-6)11(14)15/h3-5H,1-2H3

InChIKey

InChIKey=GGTSJKFPGKFLCZ-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • 1,3-Benzenedicarboxylic acid, 5-nitro-, 1,3-dimethyl ester
  • Isophthalic acid, 5-nitro-, dimethyl ester
  • 1,3-Benzenedicarboxylic acid, 5-nitro-, dimethyl ester
  • Dimethyl 5-nitroisophthalate
  • 5-Nitroisophthalic acid dimethyl ester

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