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CS-W001157 4
Total: USD 88.00

4-Chlorobenzenesulfinic acid

  • CAS No. 100-03-8

  • Cat. No. CS-0613156
  • Purity≥95%
  • MDL No.None

*For research and further manufacturing use only, not for direct human use.

4-Chlorobenzenesulfinic acid|CS-0613156

Structure of 100-03-8

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General Information

  • CAS No. 100-03-8
  • Cat. No. CS-0613156
  • Purity ≥95%
  • MDL No. None
  • Storage 4°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₅ClO₂S
  • Molecular Weight 176.62
  • Synonym(s) None
  • SMILES O=S(C1=CC=C(Cl)C=C1)O

Description

4-Chlorobenzenesulfinic acid offers a reactive sulfinyl group positioned para to a chlorine substituent, enabling selective transformations in synthetic routes. The electron-withdrawing chlorine enhances electrophilicity at the sulfur center, facilitating coupling reactions under mild conditions. This bench-stable reagent integrates efficiently into complex molecule assembly, particularly in pharmaceutical intermediates and functional materials.

Application

4-Chlorobenzenesulfinic acid serves as a versatile sulfination reagent in synthetic organic chemistry, enabling direct introduction of sulfinyl functionality under mild conditions. Its bench-stable crystalline form facilitates handling and purification, while the chlorine substituent provides orthogonal reactivity for downstream functionalization. The compound functions effectively in electrophilic sulfonylation and heterocycle synthesis, offering predictable regioselectivity and compatibility with common protecting groups in complex molecule assembly.

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-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362-P405-P501

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   1.9206
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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