2-(furan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

• ChemBase ID: 302538
• Molecular Formular: C10H15BO3
• Molecular Mass: 194.0353
• Monoisotopic Mass: 194.11142474
• SMILES: B1(OC(C(O1)(C)C)(C)C)c1ccco1
• Canonical SMILES: CC1(C)OB(OC1(C)C)c1ccco1
• InChI: InChI=1S/C10H15BO3/c1-9(2)10(3,4)14-11(13-9)8-6-5-7-12-8/h5-7H,1-4H3
• InChIKey: GWEWQKZABZXLJH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(furan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• IUPAC Traditional name: 2-(furan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• Synonyms: 2-Furylboronic acid pinacol ester; 2-(2-Furyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; Furan-2-boronic acid pinacol ester; 2-FURANBORONIC ACID PINACOL ESTER; 呋喃-2-硼酸频哪醇酯

Database IDs

• CAS Number: 374790-93-9
• MDL Number: MFCD02094008
• Beilstein Number: 9045028

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.0273
• LogD (pH = 7.4): 3.0273
• Log P: 3.0273
• Molar Refractivity: 47.4798 cm^3
• Polarizability: 20.872978 Å^3
• Polar Surface Area: 31.6 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Refractive Index: 1.4720

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 98%