Methyl 5-methyl-2,4-dinitrobenzoate

CAS Registry Number®

52090-25-2
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CAS Name

Methyl 5-methyl-2,4-dinitrobenzoate

Molecular Formula

C9H8N2O6

Molecular Mass

240.17

Cite this Page

Methyl 5-methyl-2,4-dinitrobenzoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=52090-25-2 (retrieved 2024-09-08) (CAS RN: 52090-25-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    105 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H8N2O6/c1-5-3-6(9(12)17-2)8(11(15)16)4-7(5)10(13)14/h3-4H,1-2H3

InChIKey

InChIKey=ODNYLVYXOHNFOS-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzoic acid, 5-methyl-2,4-dinitro-, methyl ester
  • Methyl 5-methyl-2,4-dinitrobenzoate