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CS-W001157 4
Total: USD 88.00

3-Chloro-4-(trifluoromethyl)phenylboronic acid

  • CAS No. 847756-88-1

  • Cat. No. CS-W010445
  • Purity≥97%
  • MDL No.None

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

3-Chloro-4-(trifluoromethyl)phenylboronic acid|CS-W010445

Structure of 847756-88-1

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General Information

  • CAS No. 847756-88-1
  • Cat. No. CS-W010445
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₅BClF₃O₂
  • Molecular Weight 224.37
  • Synonym(s) 3-Chloro-4-(trifluoromethyl)benzeneboronic acid
  • SMILES OB(O)C1=CC(Cl)=C(C=C1)C(F)(F)F

Description

3-Chloro-4-(trifluoromethyl)phenylboronic acid features a boronate moiety paired with electron-withdrawing chlorine and trifluoromethyl groups, enabling reliable Suzuki-Miyaura coupling under standard conditions. This bench-stable reagent integrates seamlessly into complex molecule assembly, particularly in pharmaceutical and agrochemical synthesis where halogenated aromatic motifs are required.

Application

3-Chloro-4-(trifluoromethyl)phenylboronic acid serves as a versatile building block in Suzuki-Miyaura cross-coupling reactions, enabling efficient C–C bond formation with aryl and vinyl halides. The trifluoromethyl group enhances metabolic stability and lipophilicity, while the boronic acid functionality offers excellent bench stability and compatibility with diverse reaction conditions. Its orthogonal reactivity profile facilitates late-stage functionalization in complex molecule synthesis.

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 : 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

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Computational Chemistry Data

  • TPSA   40.46
  • LogP   1.0386
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   1

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