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CS-W001157 4
Total: USD 88.00

4-Chloro-3-(Trifluoromethyl)phenylboronic acid

  • CAS No. 176976-42-4

  • Cat. No. CS-0007618
  • Purity≥98%
  • MDL No.MFCD03094999

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

4-Chloro-3-(Trifluoromethyl)phenylboronic acid|CS-0007618

Structure of 176976-42-4

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General Information

  • CAS No. 176976-42-4
  • Cat. No. CS-0007618
  • Purity ≥98%
  • MDL No. MFCD03094999
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₅BClF₃O₂
  • Molecular Weight 224.37
  • Synonym(s) 4-Chloro-3-(Trifluoromethyl)Phenyl Boronic Acid; 4-Chloro-3-(trifluoromethyl)phenylboronic acid
  • SMILES OB(C1=CC=C(Cl)C(C(F)(F)F)=C1)O

Description

The oxidation of methyl linoleate in organic solution and phosphatidylcholine (PC) in liposomal membranes induced by an azo initiator has often been used as a model for lipid peroxidation. Methyl linoleate may be used as a model compound in oxidation/peroxidation assays to evaluate the anti-peroxidation activity of fullerenes, ellagitannins and other natural products.

Application

4-Chloro-3-(trifluoromethyl)phenylboronic acid serves as a versatile building block in Suzuki-Miyaura cross-coupling reactions, enabling efficient construction of biaryl scaffolds under mild conditions. The trifluoromethyl group imparts enhanced metabolic stability and lipophilicity, while the boronic acid functionality offers excellent bench stability and compatibility with diverse reaction partners. Its ortho-chloro substituent facilitates further functionalization, making it a practical choice for medicinal chemistry and process development workflows.

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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