4-chloro-3-iodobenzonitrile


Chemical Name: 4-chloro-3-iodobenzonitrile
CAS Number: 914106-26-6
Product Number: AG00H09Z(AGN-PC-01438C)
Synonyms:
MDL No:
Molecular Formula: C7H3ClIN
Molecular Weight: 263.4629

Identification/Properties


Properties
MP:
91-93℃
Storage:
2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
263.462g/mol
XLogP3:
3.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
0
Exact Mass:
262.9g/mol
Monoisotopic Mass:
262.9g/mol
Topological Polar Surface Area:
23.8A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
162
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


Request for Quotation


Customer Feedback


Chemical Structure



4-Chloro-3-iodobenzonitrile is a versatile building block in chemical synthesis due to its unique reactivity and structural properties. As a substituted benzene derivative containing both chlorine and iodine atoms, this compound finds widespread application in the preparation of various organic compounds.One key use of 4-Chloro-3-iodobenzonitrile is in the synthesis of pharmaceutical intermediates. Its presence can facilitate the introduction of functional groups or structural modifications essential for the development of new drug candidates. Furthermore, the chloro and iodo groups on the benzene ring are valuable for subsequent cross-coupling reactions, enabling the formation of more complex molecules.In addition to its role in pharmaceutical chemistry, 4-Chloro-3-iodobenzonitrile is also employed in materials science. By incorporating this compound into the molecular structure of polymers or organic materials, researchers can tailor the properties of the final product, such as solubility, thermal stability, or optical characteristics.Moreover, 4-Chloro-3-iodobenzonitrile can serve as a precursor for the synthesis of various agrochemicals, dyes, and other specialty chemicals. Its strategic placement of halogens allows for strategic transformations through nucleophilic substitution, aromatic substitution, or transition metal-catalyzed reactions, thereby expanding its utility across multiple disciplines within the field of organic chemistry.