4-Chloro-2-fluoro-5-methylbenzenesulfonyl chloride

Name: 4-Chloro-2-fluoro-5-methylbenzenesulfonyl chloride
Brand: ChemScene
Availability: InStock
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CAS No. 868755-70-8
Cat. No. CS-0137778
Purity≥96%
MDL No.MFCD08060548

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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4-Chloro-2-fluoro-5-methylbenzenesulfonyl chloride|CS-0137778

Structure of 868755-70-8

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Description

4-Chloro-2-fluoro-5-methylbenzenesulfonyl chloride features a trifluorinated aryl core with orthogonal electrophilic handles, enabling selective sulfonylation under mild conditions. The chlorine and fluorine substituents enhance reactivity while maintaining stability during storage. This sulfonyl chloride integrates readily into complex molecular architectures, delivering high functional group tolerance in synthetic transformations.

Application

4-Chloro-2-fluoro-5-methylbenzenesulfonyl chloride serves as a versatile sulfonylating agent for the synthesis of sulfonamide derivatives. Its ortho-fluoro and meta-chloro substituents enhance electrophilic reactivity while maintaining bench stability. The methyl group provides steric and electronic modulation, enabling selective functionalization in complex molecular settings. This reagent facilitates efficient coupling with amines under mild conditions, offering high yields and straightforward purification—ideal for medicinal chemistry lead optimization and API intermediate construction.

General Information

CAS No. 868755-70-8
Cat. No. CS-0137778
Purity ≥96%
MDL No. MFCD08060548
Storage 4°C, sealed storage, away from moisture
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₅Cl₂FO₂S
Molecular Weight 243.08
Synonym(s) 4-Chloro-2-fluoro-5-methylbenzenesulfonylchloride
SMILES O=S(C1=CC(C)=C(Cl)C=C1F)(Cl)=O

Computational Chemistry Data

TPSA 34.14
LogP 2.71502
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 1

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS05
Signal Word : Danger	UN#: 1760
Class : 8	Packing Group : Ⅲ
Hazard Statements : H302-H314-H318
Precautionary Statements : P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P363-P405-P501

Quality Control

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Other Classifications

Building Blocks Functional Group Sulfonyl Chloride

Building Blocks Functional Group Chloride

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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4-Chloro-2-fluoro-5-methylbenzenesulfonyl chloride

CAS No. 868755-70-8

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