873-32-5 | 2-Chlorobenzonitrile

Packsize	Purity	Availability	Price	Discounted Price
100g	98%	in stock	$13.00	$10.00

Description

• Catalog Number: AB61864
• Chemical Name: 2-Chlorobenzonitrile
• CAS Number: 873-32-5
• Molecular Formula: C7H4ClN
• Molecular Weight: 137.5664
• MDL Number: MFCD00001779
• SMILES: N#Cc1ccccc1Cl
• NSC Number: 8438

Computed Properties

• Complexity: 135
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 9
• Hydrogen Bond Acceptor Count: 1
• XLogP3: 2

Upstream Synthesis Route

2-Chlorobenzonitrile, a key chemical intermediate in organic synthesis, plays a crucial role in various chemical reactions to produce a wide range of valuable compounds. By utilizing 2-Chlorobenzonitrile as a starting material, chemists can efficiently synthesize important aromatic compounds, pharmaceuticals, agrochemicals, and dyes. This versatile compound serves as a building block in the synthesis of various heterocyclic compounds and organic materials, contributing significantly to the development of new drugs, specialty chemicals, and materials with diverse applications. Its unique chemical properties and reactivity make it an essential component in the production of complex organic molecules, making it a valuable tool in the hands of synthetic chemists and researchers in the field of organic chemistry.

Literature

• Molecular structure, vibrational spectroscopic (FT-IR, FT-Raman), UV and NBO analysis of 2-chlorobenzonitrile by density functional method.

  Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20110201

• 2-(3-Chloro-phen-yl)-4,5-dihydro-1H-imidazole.

  Acta crystallographica. Section E, Structure reports online 20090201

• Characterisation of the substrate specificity of the nitrile hydrolyzing system of the acidotolerant black yeast Exophiala oligosperma R1.

  Studies in mycology 20080101

• o-Chloro- and o-bromobenzonitrile: pseudosymmetry and pseudo-isostructural packing.

  Acta crystallographica. Section C, Crystal structure communications 20070101

• A convenient catalyst system for microwave accelerated cross-coupling of a range of aryl boronic acids with aryl chlorides.

  Beilstein journal of organic chemistry 20070101