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CS-W001157 4
Total: USD 88.00

2-Chloro-3-(trifluoromethyl)phenylboronicacid

  • CAS No. 957061-11-9

  • Cat. No. CS-W020404
  • Purity≥98%
  • MDL No.MFCD09258745

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

2-Chloro-3-(trifluoromethyl)phenylboronicacid|CS-W020404

Structure of 957061-11-9

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General Information

  • CAS No. 957061-11-9
  • Cat. No. CS-W020404
  • Purity ≥98%
  • MDL No. MFCD09258745
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₅BClF₃O₂
  • Molecular Weight 224.37
  • Synonym(s) boronic acid, B-[2-chloro-3-(trifluoromethyl)phenyl]-
  • SMILES OB(O)C1=CC=CC(C(F)(F)F)=C1Cl

Description

2-Chloro-3-(trifluoromethyl)phenylboronic acid features a boronic acid group flanked by electron-withdrawing chlorine and trifluoromethyl substituents, enhancing its stability and reactivity in Suzuki-Miyaura cross-coupling. The ortho-chloro substitution enables selective functionalization, while the trifluoromethyl group imparts enhanced lipophilicity and metabolic resistance, making this compound valuable for constructing complex heterocycles and pharmaceutical intermediates under standard conditions.

Application

2-Chloro-3-(trifluoromethyl)phenylboronic acid serves as a versatile building block in Suzuki-Miyaura cross-coupling reactions, enabling efficient construction of biaryl scaffolds. Its stability under standard handling conditions and tolerance to common functional groups facilitate reliable synthesis of complex heterocycles and pharmaceutical intermediates.

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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