3-Chloro-5-(trifluoromethyl)benzenesulfonyl chloride

Name: 3-Chloro-5-(trifluoromethyl)benzenesulfonyl chloride
Brand: ChemScene
Availability: InStock
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CAS No. 875167-01-4
Cat. No. CS-0109149
Molecule weight279.06
Purity≥97%
MDL No.MFCD13185471

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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+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
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3-Chloro-5-(trifluoromethyl)benzenesulfonyl chloride|CS-0109149

Structure of 875167-01-4

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General Information

CAS No. 875167-01-4
Cat. No. CS-0109149
Purity ≥97%
MDL No. MFCD13185471
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₃Cl₂F₃O₂S
Molecular Weight 279.06
Synonym(s) 3-Chloro-5-(trifluoromethyl)benzenesulphonyl chloride
SMILES O=S(C1=CC(C(F)(F)F)=CC(Cl)=C1)(Cl)=O

Description

3-Chloro-5-(trifluoromethyl)benzenesulfonyl chloride is a highly reactive sulfonyl chloride featuring a chlorine and trifluoromethyl group in electron-deficient positions. This combination enhances electrophilicity, enabling efficient coupling in sulfonamide synthesis. The molecule exhibits robust stability under standard handling conditions and facilitates direct functionalization in pharmaceutical and agrochemical intermediate development.

Application

3-Chloro-5-(trifluoromethyl)benzenesulfonyl chloride serves as a versatile sulfonylating agent for the efficient installation of sulfonamide groups in medicinal chemistry and materials synthesis. Its reactivity is enhanced by the electron-withdrawing trifluoromethyl and chlorine substituents, enabling selective transformations under mild conditions. The compound exhibits good bench stability and facilitates clean, high-yielding reactions with amines and heterocycles, offering excellent functional group tolerance and ease of purification—key advantages for scalable synthesis workflows.

Synthesis

Route1
- In-stock
  
  69411-05-8
- ~85%
- In-stock
  
  875167-01-4
References
- CONVERGENCE PHARMACEUTICALS LIMTED; Gleave, Robert James; Hachisu, Shuji; Page, Lee William Patent: US2013/116270 A1, 2013 ; Location in patent: Paragraph 0115; 0116; 0117 ;

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS05
Signal Word : Danger	UN#: 3265
Class : 8	Packing Group : Ⅲ
Hazard Statements : H302-H314
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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Computational Chemistry Data

TPSA 34.14
LogP 3.2863
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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3-Chloro-5-(trifluoromethyl)benzenesulfonyl chloride

CAS No. 875167-01-4

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