1-Ethyl 5-nitro-1,3-benzenedicarboxylate

CAS Registry Number®

22871-55-2

CAS Name

1-Ethyl 5-nitro-1,3-benzenedicarboxylate

Molecular Formula

C10H9NO6

Molecular Mass

239.18

Cite this Page

1-Ethyl 5-nitro-1,3-benzenedicarboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=22871-55-2 (retrieved 2024-12-04) (CAS RN: 22871-55-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    162 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C10H9NO6/c1-2-17-10(14)7-3-6(9(12)13)4-8(5-7)11(15)16/h3-5H,2H2,1H3,(H,12,13)

InChIKey

InChIKey=HOYHBDFTELAGGG-UHFFFAOYSA-N

SMILES

C(OCC)(=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)OCC

Other Names for this Substance

  • 1,3-Benzenedicarboxylic acid, 5-nitro-, 1-ethyl ester
  • Isophthalic acid, 5-nitro-, monoethyl ester
  • 1,3-Benzenedicarboxylic acid, 5-nitro-, monoethyl ester
  • 1-Ethyl 5-nitro-1,3-benzenedicarboxylate
  • Monoethyl 5-nitroisophthalic acid

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