4-chloro-2-cyanobenzene-1-sulfonyl chloride


Chemical Name: 4-chloro-2-cyanobenzene-1-sulfonyl chloride
CAS Number: 1251087-10-1
Product Number: AG019SEZ(AG019SEZ)
Synonyms:
MDL No:
Molecular Formula: C7H3Cl2NO2S
Molecular Weight: 236.0752

Identification/Properties


Computed Properties
Molecular Weight:
236.066g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
234.926g/mol
Monoisotopic Mass:
234.926g/mol
Topological Polar Surface Area:
66.3A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
326
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

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NMR Spectrum


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Chemical Structure



4-Chloro-2-cyanobenzene-1-sulfonyl chloride, also known as $name$, is a versatile chemical reagent widely used in chemical synthesis. This compound serves as a valuable building block in organic chemistry due to its unique reactivity and functional groups. In chemical synthesis, 4-Chloro-2-cyanobenzene-1-sulfonyl chloride is commonly employed as a sulfonylating agent to introduce sulfonyl groups into various organic molecules. Its ability to selectively react with nucleophilic sites makes it a valuable tool in the modification and functionalization of organic compounds. Additionally, this compound can be utilized for the synthesis of pharmaceutical intermediates, agrochemicals, and materials with specific properties. Its diverse applications make it a crucial component in the toolkit of synthetic chemists looking to design and create novel compounds with tailored properties and functionalities.