4-Chloro-3-(trifluoromethyl)phenylboronic acid

Base Information

• Chemical Name: 4-Chloro-3-(trifluoromethyl)phenylboronic acid
• CAS No.: 176976-42-4
• Molecular Formula: C₇H₅BClF₃O₂
• Molecular Weight: 224.375
• Hs Code.: 29319090
• European Community (EC) Number: 675-054-7
• DSSTox Substance ID: DTXSID50382202
• Wikidata: Q72460325
• Mol file: 176976-42-4.mol

Synonyms:176976-42-4;4-Chloro-3-(trifluoromethyl)phenylboronic acid;4-chloro-3-(trifluoromethyl)benzeneboronic acid;4-Chloro-3-trifluoromethylphenylboronic acid;[4-chloro-3-(trifluoromethyl)phenyl]boronic Acid;MFCD03094999;Boronic acid, [4-chloro-3-(trifluoromethyl)phenyl]-;(4-chloro-3-(trifluoromethyl)phenyl)boronic acid;SCHEMBL177582;DTXSID50382202;BBL100426;STL554220;AKOS004116113;AB13414;GS-6231;AM803361;BP-11439;SY015044;4-chloro-5-trifluoromethylphenylboronic acid;A3929;C2571;CS-0007618;FT-0643711;4-chloro-3-(trifluoromethyl)benzeneboronicacid;4-chloro-3-trifluoromethyl-phenylboronic acid;4-chloro-3-trifluoromethylphenyl boronic acid;EN300-1179747;J-514990;N-(6-Hydroxypyridin-2-yl)-2,2-dimethylpropionamide;Boronic acid, B-[4-chloro-3-(trifluoromethyl)phenyl]-;Z381540884;4-Chloro-3-(trifluoromethyl)phenylboronic acid, AldrichCPR

Chemical Property of 4-Chloro-3-(trifluoromethyl)phenylboronic acid

Chemical Property:

• Vapor Pressure: 17.1mmHg at 25°C
• Melting Point: 135-137?°C(lit.)
• Boiling Point: 304.3 °C at 760 mmHg
• PKA: 7.36±0.10(Predicted)
• Flash Point: 137.8 °C
• PSA: 40.46000
• Density: 1.49 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-3-trifluoromethylphenylboronicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38-36
• Safety Statements: 26-36-37/39-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=CC(=C(C=C1)Cl)C(F)(F)F)(O)O
• Uses: suzuki reaction 4-Chloro-3-trifluoromethylphenylboronic Acid is a useful research reagent for the preparation of biologically and pharmacologically active molecules.