Benzoic acid, 5-chloro-2-nitro-, methyl ester

CAS Registry Number®

51282-49-6
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CAS Name

Benzoic acid, 5-chloro-2-nitro-, methyl ester

Molecular Formula

C8H6ClNO4

Molecular Mass

215.59

Cite this Page

Benzoic acid, 5-chloro-2-nitro-, methyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=51282-49-6 (retrieved 2024-05-04) (CAS RN: 51282-49-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    48.5 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C8H6ClNO4/c1-14-8(11)6-4-5(9)2-3-7(6)10(12)13/h2-4H,1H3

InChIKey

InChIKey=JGBJHRKCUKTQOE-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C(OC)C1=CC(Cl)=CC=C1N(=O)=O

Other Names for this Substance

  • Benzoic acid, 5-chloro-2-nitro-, methyl ester
  • Methyl 5-chloro-2-nitrobenzoate
  • 4-Chloro-2-methoxycarbonylnitrobenzene
  • 5-Chloro-2-nitrobenzoic acid methyl ester

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