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

CAS Registry Number®

58331-97-8
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CAS Name

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

Molecular Formula

C9H6ClNO2

Molecular Mass

195.60

Cite this Page

Benzoic acid, 4-chloro-2-cyano-, methyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=58331-97-8 (retrieved 2024-09-10) (CAS RN: 58331-97-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    115-117 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C9H6ClNO2/c1-13-9(12)8-3-2-7(10)4-6(8)5-11/h2-4H,1H3

InChIKey

InChIKey=JKAWTBOCEPQPBQ-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

N#CC1=CC(Cl)=CC=C1C(=O)OC

Other Names for this Substance

  • Benzoic acid, 4-chloro-2-cyano-, methyl ester
  • Methyl 4-chloro-2-cyanobenzoate