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3-Chloropropanoic anhydride

  • CAS No. 20495-99-2

  • Cat. No. CS-0336522
  • Purity≥95%
  • MDL No.MFCD12404945

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

3-Chloropropanoic anhydride|CS-0336522

Structure of 20495-99-2

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General Information

  • CAS No. 20495-99-2
  • Cat. No. CS-0336522
  • Purity ≥95%
  • MDL No. MFCD12404945
  • Storage -20°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₈Cl₂O₃
  • Molecular Weight 199.03
  • Synonym(s) Propanoic acid, 3-chloro-, anhydride with 3-chloropropanoic acid
  • SMILES O=C(OC(CCCl)=O)CCCl

Description

3-Chloropropanoic anhydride is a reactive acylating agent featuring a chlorine-substituted aliphatic chain, enabling efficient esterification and amide coupling under mild conditions. This electrophilic anhydride facilitates selective functionalization in synthetic organic chemistry, particularly in the modification of nucleophilic sites within complex molecular frameworks.

Application

3-Chloropropanoic anhydride serves as a highly reactive acylating agent for the efficient introduction of the 3-chloropropionyl group into organic molecules. It facilitates nucleophilic acylation under mild conditions, enabling direct functionalization of alcohols, amines, and thiols with high yield and minimal side reactions. The molecule’s bench-stable nature and compatibility with diverse functional groups make it a practical choice for synthetic modifications in medicinal chemistry and polymer synthesis.

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+P364-P405-P501

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Computational Chemistry Data

  • TPSA   43.37
  • LogP   1.314
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   4

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