Methyl 3,5-dinitrobenzoate

CAS Registry Number®

2702-58-1
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CAS Name

Methyl 3,5-dinitrobenzoate

Molecular Formula

C8H6N2O6

Molecular Mass

226.14

Cite this Page

Methyl 3,5-dinitrobenzoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=2702-58-1 (retrieved 2024-04-20) (CAS RN: 2702-58-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    107-109 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C8H6N2O6/c1-16-8(11)5-2-6(9(12)13)4-7(3-5)10(14)15/h2-4H,1H3

InChIKey

InChIKey=POGCCFLNFPIIGW-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzoic acid, 3,5-dinitro-, methyl ester
  • Methyl 3,5-dinitrobenzoate
  • 3,5-Dinitrobenzoic acid methyl ester
  • NSC 7317

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