4-Chloro-2-(trifluoromethyl)phenylboronic acid

Base Information

• Chemical Name: 4-Chloro-2-(trifluoromethyl)phenylboronic acid
• CAS No.: 313545-41-4
• Molecular Formula: C₇H₅BClF₃O₂
• Molecular Weight: 224.375
• Hs Code.: 29319090
• European Community (EC) Number: 672-938-4
• DSSTox Substance ID: DTXSID40376837
• Wikidata: Q72460320
• Mol file: 313545-41-4.mol

Synonyms:313545-41-4;4-Chloro-2-(trifluoromethyl)phenylboronic acid;4-Chloro-2-trifluoromethylphenylboronic acid;[4-chloro-2-(trifluoromethyl)phenyl]boronic Acid;4-Chloro-2-(trifluoromethyl)benzeneboronic acid;4-Chloro-2-(trifluoromethyl)phenylboronicacid;Boronic acid, [4-chloro-2-(trifluoromethyl)phenyl]-;MFCD04973086;(4-chloro-2-(trifluoromethyl)phenyl)boronic acid;SCHEMBL2313879;DTXSID40376837;AKOS004113745;AB21257;AC-1438;CS-W013060;PS-9618;NCGC00249540-01;AC-23658;AM803681;SY015335;4-chloro-2-trilfuoromethylphenylboronic acid;C2601;FT-0644403;4-chloro-2-trifluoromethylbenzene boronic acid;4-chloro-2-trifluoromethyl phenyl boronic acid;EN300-1262815;4-chloro-2-(trifluoromethyl)-phenyl boronic acid;4-Chloro-2-trifluoromethylphenylboronic acid, AldrichCPR

Chemical Property of 4-Chloro-2-(trifluoromethyl)phenylboronic acid

Chemical Property:

• Melting Point: 70-72 °C
• Boiling Point: 287.556 °C at 760 mmHg
• PKA: 7.97±0.58(Predicted)
• Flash Point: 127.709 °C
• PSA: 40.46000
• Density: 1.491 g/cm³
• LogP: 1.03860
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Solubility.: soluble in Methanol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 224.0023217
• Heavy Atom Count: 14
• Complexity: 200

Purity/Quality:

99% ^*data from raw suppliers

4-Chloro-2-trifluoromethylphenylboronic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36-36/37/38
• Safety Statements: 26-37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=C(C=C(C=C1)Cl)C(F)(F)F)(O)O
• Uses: suzuki reaction