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CS-W001157 4
Total: USD 88.00

5-Bromo-2-methylbenzotrifluoride

  • CAS No. 86845-27-4

  • Cat. No. CS-W012830
  • Purity≥98%
  • MDL No.MFCD01631587

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

5-Bromo-2-methylbenzotrifluoride|CS-W012830

Structure of 86845-27-4

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General Information

  • CAS No. 86845-27-4
  • Cat. No. CS-W012830
  • Purity ≥98%
  • MDL No. MFCD01631587
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆BrF₃
  • Molecular Weight 239.04
  • Synonym(s) 4-Methyl-3-(trifluoromethyl)bromobenzene
  • SMILES CC1=C(C=C(Br)C=C1)C(F)(F)F

Description

5-Bromo-2-methylbenzotrifluoride is a fluorinated aromatic building block featuring a bromine atom and a methyl group at meta and ortho positions relative to the trifluoromethyl group. This combination imparts enhanced electron deficiency and steric profile, enabling efficient coupling in palladium-catalyzed cross-coupling reactions. The molecule exhibits bench-stable handling characteristics and tolerates a range of reaction conditions, making it suitable for synthesizing complex fluorinated scaffolds in medicinal chemistry and materials science applications.

Application

5-Bromo-2-methylbenzotrifluoride serves as a versatile building block in medicinal chemistry and materials science, enabling palladium-catalyzed cross-coupling reactions due to its stable trifluoromethyl and bromo functional groups. The methyl substituent enhances electron density at the aromatic ring, improving reactivity in Suzuki-Miyaura and Stille couplings. Its bench-stable nature and compatibility with diverse reaction conditions make it ideal for constructing complex fluorinated scaffolds in API development.

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

Quality Control

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Computational Chemistry Data

  • TPSA   0
  • LogP   3.77632
  • H_Acceptors   0
  • H_Donors   0
  • Rotatable_Bonds   0

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