Benzoic acid, 3,5-dinitro-, ethyl ester

CAS Registry Number®

618-71-3

CAS Name

Benzoic acid, 3,5-dinitro-, ethyl ester

Molecular Formula

C9H8N2O6

Molecular Mass

240.17

Cite this Page

Benzoic acid, 3,5-dinitro-, ethyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=618-71-3 (retrieved 2024-11-22) (CAS RN: 618-71-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    94 °C

  • Density (2)

    1.511 g/cm³

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H8N2O6/c1-2-17-9(12)6-3-7(10(13)14)5-8(4-6)11(15)16/h3-5H,2H2,1H3

InChIKey

InChIKey=IBQREHJPMPCXQA-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzoic acid, 3,5-dinitro-, ethyl ester
  • Ethyl 3,5-dinitrobenzoate
  • 3,5-Dinitrobenzoic acid ethyl ester
  • NSC 32741

CAS INSIGHTSTM
Targeted protein degrader structure, illustration