3-Isobutoxy-5-(trifluoromethoxy)phenylboronic acid

Base Information

• Chemical Name: 3-Isobutoxy-5-(trifluoromethoxy)phenylboronic acid
• CAS No.: 1256346-03-8
• Molecular Formula: C11H14BF3O4
• Molecular Weight: 278.0326696
• Hs Code.: 2931900090
• DSSTox Substance ID: DTXSID10681642
• Wikidata: Q82605750
• Mol file: 1256346-03-8.mol

Synonyms:1256346-03-8;3-ISOBUTOXY-5-(TRIFLUOROMETHOXY)PHENYLBORONIC ACID;(3-Isobutoxy-5-(trifluoromethoxy)phenyl)boronic acid;[3-(2-methylpropoxy)-5-(trifluoromethoxy)phenyl]boronic acid;(3-Isobutoxy-5-(trifluoromethoxy)-phenyl)boronic acid;(3-Isobutoxy-5-(trifluoromethoxy)phenyl)boronicacid;DTXSID10681642;CJDCUTJVSGONQM-UHFFFAOYSA-N;MFCD16295064;AKOS015837523;BS-19773;CS-0174513

Chemical Property of 3-Isobutoxy-5-(trifluoromethoxy)phenylboronic acid

Chemical Property:

• Boiling Point: 355.5±52.0 °C(Predicted)
• PKA: 6.96±0.10(Predicted)
• PSA: 58.92000
• Density: 1.27±0.1 g/cm3(Predicted)
• LogP: 1.29980
• Storage Temp.: Refrigerated.
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 278.0937236
• Heavy Atom Count: 19
• Complexity: 273

Purity/Quality:

≥95% ^*data from raw suppliers

3-Isobutoxy-5-(trifluoromethoxy)phenylboronicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=CC(=CC(=C1)OC(F)(F)F)OCC(C)C)(O)O