2-Chlorobenzonitrile

• CAT Number: R023514
• CAS Number: 873-32-5
• Molecular Formula: C7H4ClN
• Molecular Weight: 137.566
• Purity: 98%
• Storage: -20°C
• IUPAC Name: 2-chlorobenzonitrile
• InChI: InChI=1S/C7H4ClN/c8-7-4-2-1-3-6(7)5-9/h1-4H
• InChIKey: NHWQMJMIYICNBP-UHFFFAOYSA-N
• SMILES: C1=CC=C(C(=C1)C#N)Cl

2-Chlorobenzonitrile (Cat.No:R023514) is a chemical compound used in various industrial applications, including the synthesis of pharmaceuticals, agrochemicals, and dyes. It serves as a versatile building block in organic chemistry, enabling the creation of diverse molecules with unique properties and functionalities. The chlorine and nitrile groups enhance its reactivity and applicability in chemical reactions.

Reference

1. Modern Chemistry 4.3 (2015): 38-46. Experimental investigation on physical, thermal and spectroscopic properties of 2-chlorobenzonitrile: Impact of biofield treatment. Trivedi, Mahendra, Alice B, Dahryn T, Gopal N, Ragini S, and Snehasis J. 

2-chlorobenzonitrile (2-ClBN) is widely used in the manufacturing of azo dyes, pharmaceuticals, and as intermediate in various chemical reactions. The aim of present study was to evaluate the impact of biofield treatment on physical, thermal and spectroscopic properties of 2-ClBN.

2.Spectrochim Acta A Mol Biomol Spectrosc. 2011 Feb;78(2):582-9. doi: 10.1016/j.saa.2010.11.027. Epub 2010 Dec 4. Molecular structure, vibrational spectroscopic (FT-IR, FT-Raman), UV and NBO analysis of 2-chlorobenzonitrile by density functional method. Krishnan AR(1), Saleem H, Subashchandrabose S, Sundaraganesan N, Sebastain S.

 

In this work, we will report a combined experimental and theoretical study on molecular structure, vibrational spectra, NBO and UV spectral analysis of 2-chlorobenzonitrile (2-ClBN).