4025-64-3 | 3-(Chlorosulfonyl)benzoic acid

Packsize	Purity	Availability	Price	Discounted Price
1g	96%	in stock	$8.00	$6.00
5g	96%	in stock	$10.00	$7.00
10g	96%	in stock	$12.00	$9.00
25g	96%	in stock	$28.00	$19.00
100g	96%	in stock	$90.00	$63.00

Description

• Catalog Number: AB44261
• Chemical Name: 3-(Chlorosulfonyl)benzoic acid
• CAS Number: 4025-64-3
• Molecular Formula: C7H5ClO4S
• Molecular Weight: 220.6302
• MDL Number: MFCD00024877
• SMILES: OC(=O)c1cccc(c1)S(=O)(=O)Cl

Computed Properties

• Complexity: 292
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 13
• Hydrogen Bond Acceptor Count: 4
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 2
• XLogP3: 1.4

Upstream Synthesis Route

3-(Chlorosulfonyl)benzoic acid is a versatile compound commonly utilized in chemical synthesis for its unique properties and reactivity. This compound functions as a strong electrophile due to the presence of the chlorosulfonyl group, which allows it to participate in a variety of synthetic reactions.One key application of 3-(Chlorosulfonyl)benzoic acid is in the preparation of various sulfonamides. By reacting with primary or secondary amines, this compound can be used to introduce the sulfonyl group onto nitrogen atoms, leading to the formation of sulfonamide derivatives. These sulfonamides are important building blocks in medicinal chemistry and can exhibit diverse biological activities.Additionally, 3-(Chlorosulfonyl)benzoic acid is commonly used in the synthesis of aryl sulfones. Through reactions with various nucleophiles, such as organometallic reagents or enolates, this compound can be employed to construct aryl sulfone compounds. Aryl sulfones are valuable intermediates in organic synthesis and find applications in the pharmaceutical and agrochemical industries.Furthermore, the reactivity of 3-(Chlorosulfonyl)benzoic acid enables it to be utilized in the functionalization of aromatic compounds. By undergoing aromatic substitution reactions, this compound can be employed to introduce the sulfonyl group onto aromatic rings, allowing for the modification and manipulation of organic molecules in a controlled manner.In conclusion, 3-(Chlorosulfonyl)benzoic acid plays a crucial role in chemical synthesis by serving as a powerful electrophile for the preparation of sulfonamides, aryl sulfones, and functionalized aromatic compounds. Its versatility and reactivity make it a valuable tool for organic chemists seeking to access a diverse array of functionalized compounds for various applications.