CAS 7346-46-5
:Methyl 2-chloro-α-cyanobenzenepropanoate
Description:
Methyl 2-chloro-α-cyanobenzenepropanoate, with the CAS number 7346-46-5, is an organic compound characterized by its ester functional group, which is derived from the reaction of a carboxylic acid and an alcohol. This compound features a chloro substituent and a cyano group attached to a benzene ring, contributing to its reactivity and potential applications in organic synthesis. It typically appears as a colorless to pale yellow liquid and has a relatively low boiling point, indicative of its volatility. The presence of the cyano group enhances its polarity, making it soluble in polar solvents. Methyl 2-chloro-α-cyanobenzenepropanoate can be utilized in various chemical reactions, including nucleophilic substitutions and as an intermediate in the synthesis of pharmaceuticals and agrochemicals. Due to the presence of chlorine and cyanide functionalities, it may exhibit toxicity and should be handled with appropriate safety precautions in laboratory settings. Overall, this compound is of interest in both academic research and industrial applications.
Formula:C11H10ClNO2
InChI:InChI=1S/C11H10ClNO2/c1-15-11(14)9(7-13)6-8-4-2-3-5-10(8)12/h2-5,9H,6H2,1H3
InChI key:InChIKey=UINYMUPWCAHBKX-UHFFFAOYSA-N
SMILES:C(C(C(OC)=O)C#N)C1=C(Cl)C=CC=C1
Synonyms:- Benzenepropanoic acid, 2-chloro-α-cyano-, methyl ester
- Hydrocinnamic acid, o-chloro-α-cyano-, methyl ester
- NSC 122542
- Methyl 2-chloro-α-cyanobenzenepropanoate
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