(3-Fluoro-4-(trifluoromethyl)phenyl)boronic acid

Base Information

• Chemical Name: (3-Fluoro-4-(trifluoromethyl)phenyl)boronic acid
• CAS No.: 864759-68-2
• Molecular Formula: C₇H₅BF₄O₂
• Molecular Weight: 207.92
• Hs Code.: 2931900090
• European Community (EC) Number: 801-837-1
• DSSTox Substance ID: DTXSID30590202
• Wikidata: Q82483910
• Mol file: 864759-68-2.mol

Synonyms:864759-68-2;(3-Fluoro-4-(trifluoromethyl)phenyl)boronic acid;3-fluoro-4-(trifluoromethyl)phenylboronic acid;3-Fluoro-4-trifluoromethyl-phenylboronic acid;3-Fluoro-4-trifluoromethylphenylboronic acid;[3-fluoro-4-(trifluoromethyl)phenyl]boronic acid;MFCD08706261;3-Fluoro-4-trifluoromethylphenyl boronic acid;3-FLUORO-4-TRIFLUOROMETHYL-PHENYLBORONICACID;SCHEMBL1231962;AMY1621;DTXSID30590202;AKOS015888811;AB48714;DS-2095;SY038127;DB-028495;CS-0031360;EN300-70660;(3-Fluoro-4-(trifluoromethyl)phenyl)boronicacid;3-fluoro-4-(trifluoromethyl)-phenyl boronic acid;A841675;[3-fluoranyl-4-(trifluoromethyl)phenyl]boronic acid;3-FLUORO-4-(TRIFLUOROMETHYL)PHENYL BORONIC ACID;Z1070168086

Chemical Property of (3-Fluoro-4-(trifluoromethyl)phenyl)boronic acid

Chemical Property:

• Vapor Pressure: 0.0035mmHg at 25°C
• Refractive Index: 1.445
• Boiling Point: 269.8 °C at 760 mmHg
• PKA: 6.74±0.10(Predicted)
• Flash Point: 117 °C
• PSA: 40.46000
• Density: 1.44 g/cm³
• LogP: 0.52430
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 208.0318722
• Heavy Atom Count: 14
• Complexity: 197

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-Fluoro-4-trifluoromethylphenylboronicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=CC(=C(C=C1)C(F)(F)F)F)(O)O
• Uses: 3-Fluoro-4-trifluoromethylphenylboronic acid

Technology Process of (3-Fluoro-4-(trifluoromethyl)phenyl)boronic acid

There total 1 articles about (3-Fluoro-4-(trifluoromethyl)phenyl)boronic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

4-bromo-2-fluoro-1-(trifluoromethyl)benzene (142808-15-9) + Triisopropyl borate (5419-55-6) + water (7732-18-5) → (3-fluoro-4-(trifluoromethyl)phenyl)boronic acid (864759-68-2)

Guidance literature:

4-bromo-2-fluoro-1-(trifluoromethyl)benzene; With magnesium; ethylene dibromide; In tetrahydrofuran; for 1.1h; Inert atmosphere;

Triisopropyl borate; In tetrahydrofuran; at -20 ℃; for 4.5h; Inert atmosphere;

water; With hydrogenchloride; In tetrahydrofuran; pH=< 4; Inert atmosphere;

upstream raw materials:

4-bromo-2-fluoro-1-(trifluoromethyl)benzene

Triisopropyl borate

water

Refernces