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CS-W001157 4
Total: USD 88.00

1-Bromo-2-fluoro-4,5-dimethylbenzene

  • CAS No. 5100-97-0

  • Cat. No. CS-0195398
  • Purity≥97%
  • MDL No.None

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

1-Bromo-2-fluoro-4,5-dimethylbenzene|CS-0195398

Structure of 5100-97-0

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General Information

  • CAS No. 5100-97-0
  • Cat. No. CS-0195398
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₈BrF
  • Molecular Weight 203.05
  • Synonym(s) 4.5-Dimethyl-2-fluoro-brombenzol
  • SMILES CC1=CC(=C(C=C1C)F)Br

Description

1-Bromo-2-fluoro-4,5-dimethylbenzene features a uniquely activated aromatic core with complementary halogen handles. The ortho-fluoro and bromo substituents enable selective cross-coupling reactions, while the two methyl groups enhance solubility and steric protection. This bench-stable derivative serves as a key building block in constructing complex heterocycles and functionalized biaryls under standard conditions.

Application

1-Bromo-2-fluoro-4,5-dimethylbenzene serves as a versatile aryl halide building block in cross-coupling reactions, enabling efficient construction of biaryl scaffolds under palladium catalysis. The ortho-fluoro substituent enhances reactivity in Suzuki-Miyaura and Negishi couplings while maintaining stability during storage and handling. Its methyl groups provide steric and electronic modulation, facilitating selective functionalization and serving as a platform for further derivatization in medicinal chemistry and materials science applications.

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 : H227-H315-H319
Precautionary Statements : P210-P264-P280-P302+P352-P362-P370+P378-P501

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Computational Chemistry Data

  • TPSA   0
  • LogP   3.20504
  • H_Acceptors   0
  • H_Donors   0
  • Rotatable_Bonds   0

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