Ethyl 4-methyl-3,5-dinitrobenzoate

CAS Registry Number®

5400-86-2
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CAS Name

Ethyl 4-methyl-3,5-dinitrobenzoate

Molecular Formula

C10H10N2O6

Molecular Mass

254.20

Cite this Page

Ethyl 4-methyl-3,5-dinitrobenzoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5400-86-2 (retrieved 2024-09-08) (CAS RN: 5400-86-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    69-70 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C10H10N2O6/c1-3-18-10(13)7-4-8(11(14)15)6(2)9(5-7)12(16)17/h4-5H,3H2,1-2H3

InChIKey

InChIKey=PSWSYSXZAYFPQB-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzoic acid, 4-methyl-3,5-dinitro-, ethyl ester
  • p-Toluic acid, 3,5-dinitro-, ethyl ester
  • Ethyl 4-methyl-3,5-dinitrobenzoate
  • NSC 10396
  • 4-Methyl-3,5-dinitrobenzoic acid ethyl ester