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CS-W001157 4
Total: USD 88.00

1-Bromo-2-iodo-4-methylbenzene

  • CAS No. 858841-53-9

  • Cat. No. CS-W005149
  • Purity≥96%
  • MDL No.MFCD07784420

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

1-Bromo-2-iodo-4-methylbenzene|CS-W005149

Structure of 858841-53-9

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General Information

  • CAS No. 858841-53-9
  • Cat. No. CS-W005149
  • Purity ≥96%
  • MDL No. MFCD07784420
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₆BrI
  • Molecular Weight None
  • Synonym(s) 4-BROMO-3-IODOTOLUENE
  • SMILES CC1=CC(I)=C(Br)C=C1

Description

1-Bromo-2-iodo-4-methylbenzene features dual halogen substituents on a methylated benzene core, enabling selective cross-coupling reactions. The bromo group offers high reactivity in palladium-catalyzed processes, while the iodo moiety provides complementary coupling efficiency. This ortho-halogenated scaffold supports sequential functionalization strategies in synthetic organic chemistry and materials science applications.

Application

1-Bromo-2-iodo-4-methylbenzene serves as a versatile dihalogenated aromatic building block for palladium-catalyzed cross-coupling reactions. The bromo and iodo substituents enable sequential functionalization via orthogonal reactivity, facilitating the construction of complex biaryl scaffolds. The methyl group provides a site for further derivatization and enhances solubility in organic media. Bench-stable and compatible with standard coupling protocols, it functions reliably in medicinal chemistry and materials synthesis workflows.

Safety Information

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GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H413
Precautionary Statements : P264-P270-P273-P330-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   0
  • LogP   3.36212
  • H_Acceptors   0
  • H_Donors   0
  • Rotatable_Bonds   0

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