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CS-W001157 4
Total: USD 88.00

5-Chloro-2-iodo-1,3-dimethylbenzene

  • CAS No. 404337-42-4

  • Cat. No. CS-0035645
  • Purity≥97%
  • MDL No.None

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

5-Chloro-2-iodo-1,3-dimethylbenzene|CS-0035645

Structure of 404337-42-4

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General Information

  • CAS No. 404337-42-4
  • Cat. No. CS-0035645
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₈ClI
  • Molecular Weight 266.51
  • Synonym(s) 5-Chloro-2-iodo-M-xylene
  • SMILES CC1=C(C(=CC(=C1)Cl)C)I

Description

5-Chloro-2-iodo-1,3-dimethylbenzene features a dual-heteroatom substitution pattern on a methylated benzene core, enabling selective cross-coupling reactions. The electron-deficient aryl iodide moiety facilitates efficient palladium-catalyzed transformations, while the chloro group offers orthogonal reactivity. This bench-stable derivative combines enhanced functional group tolerance with predictable regiochemistry in synthetic sequences.

Application

5-Chloro-2-iodo-1,3-dimethylbenzene serves as a versatile diaryl building block for palladium-catalyzed cross-coupling reactions. The orthogonal reactivity of chlorine and iodine enables sequential functionalization, while the methyl groups enhance solubility and stability. This compound facilitates efficient access to substituted biaryls and heterocyclic scaffolds in medicinal chemistry and materials science applications.

Safety Information

Download SDS
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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   0
  • LogP   3.56144
  • H_Acceptors   0
  • H_Donors   0
  • Rotatable_Bonds   0

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