1,1,1-Trifluoro-N-phenylmethanesulfonamide

Name: 1,1,1-Trifluoro-N-phenylmethanesulfonamide
Brand: ChemScene
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CAS No. 456-64-4
Cat. No. CS-0156098
Purity≥98%
MDL No.MFCD00521820

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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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1,1,1-Trifluoro-N-phenylmethanesulfonamide|CS-0156098

Structure of 456-64-4

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General Information

CAS No. 456-64-4
Cat. No. CS-0156098
Purity ≥98%
MDL No. MFCD00521820
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₆F₃NO₂S
Molecular Weight 225.19
Synonym(s) N-Phenyl(trifluoromethane)sulfonamide
SMILES C1=CC=C(C=C1)NS(=O)(=O)C(F)(F)F

Description

1,1,1-Trifluoro-N-phenylmethanesulfonamide features a trifluoromethyl group linked to a sulfonamide nitrogen, delivering enhanced stability and lipophilicity. This configuration supports efficient incorporation into bioactive scaffolds, particularly in medicinal chemistry where electron-withdrawing character and metabolic resistance are advantageous. The phenyl ring provides a rigid aromatic handle for further derivatization.

Application

1,1,1-Trifluoro-N-phenylmethanesulfonamide serves as a stable, bench-ready trifluoromethylating agent that facilitates the introduction of CF₃ groups under mild conditions. Its robust functional group tolerance enables selective trifluoromethylation in complex molecule synthesis, particularly valuable in medicinal chemistry and agrochemical development. The compound functions as a reliable source of the trifluoromethyl anion equivalent and is compatible with standard reaction protocols requiring minimal purification.

Safety Information

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GHS Pictogram :	GHS No : GHS06
Signal Word : Danger	UN#: 2811
Class : 6.1	Packing Group : Ⅲ
Hazard Statements : H301-H315-H319
Precautionary Statements : P264-P270-P280-P302+P352-P330-P362+P364-P405-P501

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Computational Chemistry Data

TPSA 46.17
LogP 1.9481
H_Acceptors 2
H_Donors 1
Rotatable_Bonds 2

Other Classifications

Building Blocks Functional Group Fluoride

Building Blocks Functional Group Sulfonamide

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Chemical Synthesis Synthetic Reagents Coupling Triflate Formation

Chemical Synthesis Synthetic Reagents Protection, Deprotection, Derivatization Protecting and Derivatizing Reagents

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1,1,1-Trifluoro-N-phenylmethanesulfonamide

CAS No. 456-64-4

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