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CS-W001157 4
Total: USD 88.00

1,3-Dibromo-5-(tert-butyl)-2-chlorobenzene

  • CAS No. 1000578-25-5

  • Cat. No. CS-0101728
  • Purity≥98%
  • MDL No.MFCD09878148

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

1,3-Dibromo-5-(tert-butyl)-2-chlorobenzene|CS-0101728

Structure of 1000578-25-5

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General Information

  • CAS No. 1000578-25-5
  • Cat. No. CS-0101728
  • Purity ≥98%
  • MDL No. MFCD09878148
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₁Br₂Cl
  • Molecular Weight 326.46
  • Synonym(s) 4-Chloro-3,5-dibromo-tert-butylbenzene
  • SMILES CC(C1=CC(Br)=C(Cl)C(Br)=C1)(C)C

Description

1,3-Dibromo-5-(tert-butyl)-2-chlorobenzene features a sterically hindered aromatic core with complementary halogenation patterns enabling selective cross-coupling. The tert-butyl group enhances solubility and stability under standard conditions, while the bromo and chloro substituents offer orthogonal reactivity for sequential functionalization in synthetic sequences.

Application

1,3-Dibromo-5-(tert-butyl)-2-chlorobenzene serves as a versatile building block for palladium-catalyzed cross-coupling reactions, enabling the construction of complex aryl architectures with high regiocontrol. The tert-butyl group provides steric bulk and enhanced stability, while the strategically positioned bromo and chloro substituents offer orthogonal reactivity for sequential functionalization. This compound facilitates efficient access to substituted biaryls and heterocyclic scaffolds under standard coupling conditions.

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 : H315-H319
Precautionary Statements : P264-P280-P302+P352-P362

Quality Control

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Computational Chemistry Data

  • TPSA   0
  • LogP   5.1625
  • H_Acceptors   0
  • H_Donors   0
  • Rotatable_Bonds   0

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