2-Chloro-4-fluorobenzene-1-sulfonyl chloride

Name: 2-Chloro-4-fluorobenzene-1-sulfonyl chloride
Brand: ChemScene
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CAS No. 85958-57-2
Cat. No. CS-0022408
Purity≥96%
MDL No.MFCD00052957

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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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2-Chloro-4-fluorobenzene-1-sulfonyl chloride|CS-0022408

Structure of 85958-57-2

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General Information

CAS No. 85958-57-2
Cat. No. CS-0022408
Purity ≥96%
MDL No. MFCD00052957
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₃Cl₂FO₂S
Molecular Weight 229.06
Synonym(s) Disulfide, bis[2-nitro-4- (trifluoromethyl)phenyl]
SMILES O=S(C1=CC=C(F)C=C1Cl)(Cl)=O

Description

2-Chloro-4-fluorobenzene-1-sulfonyl chloride features a dual halogenated aromatic core with reactive sulfonyl chloride functionality. This electrophilic reagent enables efficient sulfonamide formation under mild conditions, offering high chemoselectivity in complex molecule synthesis. The ortho-chloro and para-fluoro substituents enhance stability and modulate reactivity for precise functionalization.

Application

2-Chloro-4-fluorobenzene-1-sulfonyl chloride serves as a versatile sulfonylating agent for the introduction of sulfonamide groups in medicinal chemistry and agrochemical synthesis. Its ortho-chloro and para-fluoro substituents enhance reactivity while maintaining bench stability, enabling selective functionalization under mild conditions. The compound facilitates efficient coupling with amines to yield sulfonamides, which are key structural motifs in bioactive molecules. Its compatibility with diverse functional groups and straightforward purification make it a practical choice for high-yield transformations in multi-step syntheses.

Synthesis

Route1
- 132243-22-2
- ~91%
- In-stock
  
  85958-57-2
References
- Du, Xiao-Hua; Chen, Sheng; Zheng, Mei; Xu, Zhen-Yuan Organic Preparations and Procedures International, 2005 , vol. 37, # 6 p. 566 - 569
Route2
- In-stock
  
  2106-02-7
- ~%
- In-stock
  
  85958-57-2
References
- Journal of Medicinal Chemistry, , vol. 26, # 8 p. 1174 - 1187

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS05
Signal Word : Danger	UN#: 1759
Class : 8	Packing Group : Ⅲ
Hazard Statements : H314
Precautionary Statements : P260-P264-P280-P301+P330+P331-P304+P340-P363-P405-P501

Quality Control

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Computational Chemistry Data

TPSA 34.14
LogP 2.4066
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 1

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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2-Chloro-4-fluorobenzene-1-sulfonyl chloride

CAS No. 85958-57-2

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