Trifluoromethyl 4-methylbenzenesulfonate

Name: Trifluoromethyl 4-methylbenzenesulfonate
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CAS No. 175676-42-3
Cat. No. CS-0140430
Purity≥95%
MDL No.MFCD31695793

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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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Trifluoromethyl 4-methylbenzenesulfonate|CS-0140430

Structure of 175676-42-3

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General Information

CAS No. 175676-42-3
Cat. No. CS-0140430
Purity ≥95%
MDL No. MFCD31695793
Storage 4°C, stored under nitrogen, away from moisture
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₇F₃O₃S
Molecular Weight 240.20
Synonym(s) Trifluoromethyl tosylate
SMILES FC(F)(OS(C1=CC=C(C)C=C1)(=O)=O)F

Description

Trifluoromethyl 4-methylbenzenesulfonate serves as a potent trifluoromethylating agent in synthetic organic chemistry. This bench-stable reagent features a para-methyl-substituted arylsulfonate moiety that enhances reactivity and selectivity. It facilitates efficient C–CF₃ bond formation under mild conditions, enabling direct trifluoromethylation of nucleophiles without requiring transition metal catalysis.

Application

Trifluoromethyl 4-methylbenzenesulfonate serves as a robust trifluoromethylating agent in transition-metal-catalyzed cross-coupling reactions. Its stable, bench-friendly nature and excellent functional group tolerance enable efficient C–CF₃ bond formation under mild conditions. Widely employed in the synthesis of fluorinated aromatic compounds and pharmaceutical intermediates, it facilitates direct introduction of the trifluoromethyl group with high chemoselectivity and reproducibility in standard organic workflows.

Safety Information

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GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P280-P302+P352

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Computational Chemistry Data

TPSA 43.37
LogP 2.22012
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 2

Other Classifications

Building Blocks Functional Group Sulfonate

General Reagents Halogenating Reagents Fluorination Reagent

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Chemical Synthesis Synthetic Reagents Fluorination Reagents

Key Words

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Trifluoromethyl 4-methylbenzenesulfonate

CAS No. 175676-42-3

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