dimethyl(phenyl)(tetramethyl-1,3,2-dioxaborolan-2-yl)silane

• ChemBase ID: 141460
• Molecular Formular: C14H23BO2Si
• Molecular Mass: 262.22772
• Monoisotopic Mass: 262.15603691
• SMILES: B1(OC(C(O1)(C)C)(C)C)[Si](C)(C)c1ccccc1
• Canonical SMILES: CC1(C)OB(OC1(C)C)[Si](c1ccccc1)(C)C
• InChI: InChI=1S/C14H23BO2Si/c1-13(2)14(3,4)17-15(16-13)18(5,6)12-10-8-7-9-11-12/h7-11H,1-6H3
• InChIKey: ARMSAQNLTKGMGM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl(phenyl)(tetramethyl-1,3,2-dioxaborolan-2-yl)silane
• IUPAC Traditional name: dimethyl(phenyl)(tetramethyl-1,3,2-dioxaborolan-2-yl)silane
• Synonyms: 2-(Dimethylphenylsilyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; B-(dimethylphenylsilyl)pinacolborane; (Dimethylphenylsilyl)boronic acid pinacol ester; 2-(二甲基苯基甲硅烷基)-4,4,5,5-四甲基-1,3,2-二氧杂硼烷; B-(二甲基苯基甲硅烷基)频哪醇硼烷; (二甲基苯甲硅烷基)硼酸频哪醇酯

Database IDs

• CAS Number: 185990-03-8
• MDL Number: MFCD05664111
• PubChem SID: 24885765; 162235694
• PubChem CID: 10199126

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.4214
• LogD (pH = 7.4): 4.4214
• Log P: 4.4214
• Molar Refractivity: 66.8113 cm^3
• Polarizability: 30.64803 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: >110 °C; >230 °F
• Density: 0.962 g/mL at 25 °C
• Refractive Index: n20/D 1.4946

Safety Information

• German water hazard class: 3

Product Information

• Purity: 95%
• Empirical Formula (Hill Notation): C14H23BO2Si

DETAILS

Sigma Aldrich - 683434

Packaging
1, 5 g in glass bottle