Benzoic acid, 2,3,4,5-tetrachloro-6-cyano-, methyl ester

CAS Registry Number®

5358-06-5

CAS Name

Benzoic acid, 2,3,4,5-tetrachloro-6-cyano-, methyl ester

Molecular Formula

C9H3Cl4NO2

Molecular Mass

298.94

Cite this Page

Benzoic acid, 2,3,4,5-tetrachloro-6-cyano-, methyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5358-06-5 (retrieved 2024-11-22) (CAS RN: 5358-06-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    83-84 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H3Cl4NO2/c1-16-9(15)4-3(2-14)5(10)7(12)8(13)6(4)11/h1H3

InChIKey

InChIKey=XYQXGZLLGNQFSL-UHFFFAOYSA-N

SMILES

C(OC)(=O)C1=C(C#N)C(Cl)=C(Cl)C(Cl)=C1Cl

Canonical SMILES

N#CC=1C(Cl)=C(Cl)C(Cl)=C(Cl)C1C(=O)OC

Other Names for this Substance

  • Benzoic acid, 2,3,4,5-tetrachloro-6-cyano-, methyl ester
  • Methyl 2,3,4,5-tetrachloro-6-cyanobenzoate
  • Methyl 3,4,5,6-tetrachloro-2-cyanobenzoate
  • Methyl 3,4,5,6-tetrachlorocyanobenzoate
  • Methyl 2-cyano-3,4,5,6-tetrachlorobenzoate

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Deleted or Replaced CAS Registry Numbers

790240-51-6

CAS INSIGHTSTM
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