Benzoic acid, 4-chloro-2-nitro-, methyl ester

CAS Registry Number®

42087-80-9

CAS Name

Benzoic acid, 4-chloro-2-nitro-, methyl ester

Molecular Formula

C8H6ClNO4

Molecular Mass

215.59

Cite this Page

Benzoic acid, 4-chloro-2-nitro-, methyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=42087-80-9 (retrieved 2024-11-22) (CAS RN: 42087-80-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    43-45 °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)6-3-2-5(9)4-7(6)10(12)13/h2-4H,1H3

InChIKey

InChIKey=JWOSXVMUUBWGOL-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzoic acid, 4-chloro-2-nitro-, methyl ester
  • 2-Nitro-4-chlorobenzoic acid methyl ester
  • Methyl 4-chloro-2-nitrobenzoate
  • Methyl 2-nitro-4-chlorobenzoate
  • NSC 17028

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CAS INSIGHTSTM
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