426-59-5 | 3-(Trifluoromethylsulfonyl)aniline

Packsize	Purity	Availability	Price	Discounted Price
250mg	95%	in stock	$78.00	$54.00
1g	98%	in stock	$95.00	$67.00
5g	98%	in stock	$339.00	$237.00
10g	98%	in stock	$612.00	$429.00
25g	98%	in stock	$1,443.00	$1,010.00

Description

• Catalog Number: AB49420
• Chemical Name: 3-(Trifluoromethylsulfonyl)aniline
• CAS Number: 426-59-5
• Molecular Formula: C7H6F3NO2S
• Molecular Weight: 225.1882
• MDL Number: MFCD00792413
• SMILES: Nc1cccc(c1)S(=O)(=O)C(F)(F)F

Computed Properties

• Complexity: 293
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 14
• Hydrogen Bond Acceptor Count: 6
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 1
• XLogP3: 1.5

Upstream Synthesis Route

3-(Trifluoromethanesulfonyl)aniline is a versatile compound frequently used in chemical synthesis for its unique properties and reactivity. In organic chemistry, it serves as a valuable building block for the preparation of various pharmaceuticals, agrochemicals, and materials. The trifluoromethanesulfonyl group attached to the aniline moiety imparts increased stability and reactivity to the molecule, allowing for selective functionalization at different positions. Its presence can enhance the biological activity of the resulting products and facilitate the synthesis of complex molecules through efficient and stereocontrolled reactions. Additionally, the electron-withdrawing nature of the trifluoromethanesulfonyl group can influence the overall reactivity and selectivity of subsequent chemical transformations, making 3-(Trifluoromethanesulfonyl)aniline a valuable tool in modern synthetic chemistry.