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CS-W001157 4
Total: USD 88.00

1-Bromo-2-methyl-3-(trifluoromethyl)benzene

  • CAS No. 69902-83-6

  • Cat. No. CS-W009483
  • Purity≥98%
  • MDL No.MFCD04038231

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

1-Bromo-2-methyl-3-(trifluoromethyl)benzene|CS-W009483

Structure of 69902-83-6

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General Information

  • CAS No. 69902-83-6
  • Cat. No. CS-W009483
  • Purity ≥98%
  • MDL No. MFCD04038231
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆BrF₃
  • Molecular Weight 239.04
  • Synonym(s) Methyl-3-trifluoromethylbromobenzene
  • SMILES CC1=C(Br)C=CC=C1C(F)(F)F

Description

1-Bromo-2-methyl-3-(trifluoromethyl)benzene features a trifluoromethyl group that imparts enhanced electron-withdrawal and metabolic stability, while the bromine atom enables facile cross-coupling reactions. This aryl halide integrates efficiently into complex molecular architectures under standard conditions.

Application

1-Bromo-2-methyl-3-(trifluoromethyl)benzene serves as a versatile building block in medicinal chemistry and materials science, enabling palladium-catalyzed cross-coupling reactions such as Suzuki-Miyaura and Stille couplings. The trifluoromethyl group enhances metabolic stability and lipophilicity, while the bromo substituent provides high reactivity under standard coupling conditions. Bench-stable and compatible with common protecting groups, it facilitates efficient synthesis of complex aromatic scaffolds relevant to pharmaceutical and agrochemical development.

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-H335
Precautionary Statements : P261-P264-P271-P302+P352-P304+P340-P362-P405-P501

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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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