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 esterMolecular Formula
C9H6ClNO2Molecular Mass
195.60Cite 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 ) (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