Benzoic acid, 2-chloro-3,5-dinitro-, ethyl ester

CAS Registry Number®

7251-28-7

CAS Name

Benzoic acid, 2-chloro-3,5-dinitro-, ethyl ester

Molecular Formula

C9H7ClN2O6

Molecular Mass

274.61

Cite this Page

Benzoic acid, 2-chloro-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=7251-28-7 (retrieved 2024-11-22) (CAS RN: 7251-28-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    54 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H7ClN2O6/c1-2-18-9(13)6-3-5(11(14)15)4-7(8(6)10)12(16)17/h3-4H,2H2,1H3

InChIKey

InChIKey=UGNMHSAEARMZRD-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C(OCC)C=1C=C(C=C(C1Cl)N(=O)=O)N(=O)=O

Other Names for this Substance

  • Benzoic acid, 2-chloro-3,5-dinitro-, ethyl ester
  • Ethyl 2-chloro-3,5-dinitrobenzoate
  • NSC 44291

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