4-Fluoro-2-methylbenzenesulfonyl chloride

Name: 4-Fluoro-2-methylbenzenesulfonyl chloride
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CAS No. 7079-48-3
Cat. No. CS-0071271
Purity≥98%
MDL No.MFCD03094390

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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4-Fluoro-2-methylbenzenesulfonyl chloride|CS-0071271

Structure of 7079-48-3

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General Information

CAS No. 7079-48-3
Cat. No. CS-0071271
Purity ≥98%
MDL No. MFCD03094390
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₆ClFO₂S
Molecular Weight None
Synonym(s) 4-Fluoro-o-toluenesulphonyl chloride
SMILES O=S(C(C(C)=C1)=CC=C1F)(Cl)=O

Description

4-Fluoro-2-methylbenzenesulfonyl chloride is a reactive sulfonyl chloride featuring an electron-withdrawing fluorine and a methyl group in ortho relationship to the sulfonyl moiety. This electronic and steric configuration enhances its electrophilicity, enabling efficient sulfonation of nucleophiles under mild conditions. The compound exhibits excellent bench stability and moisture tolerance, simplifying handling in synthetic workflows.

Application

4-Fluoro-2-methylbenzenesulfonyl chloride serves as a versatile sulfonylating agent for the efficient introduction of the 4-fluoro-2-methylbenzenesulfonyl group into pharmaceutical and agrochemical intermediates. Its reactivity enables selective sulfonation of amines, alcohols, and thiols under mild conditions, with the fluorine and methyl substituents offering orthogonal functionalization potential. The compound exhibits good bench stability and facilitates straightforward purification, making it well-suited for scalable synthesis workflows.

Synthesis

Route1
- 352-70-5
- ~74%
- In-stock
  
  7079-48-3
References
- Pal, Manojit; Veeramaneni, Venugopal Rao; Kumar, Sanjeev; Lohray, Vidya B.; Yeleswarapu, Koteswar Rao Journal of the Indian Chemical Society, 2003 , vol. 80, # 12 p. 1095 - 1101

Safety Information

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

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Computational Chemistry Data

TPSA 34.14
LogP 2.06162
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Sulfonyl Chloride

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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4-Fluoro-2-methylbenzenesulfonyl chloride

CAS No. 7079-48-3

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