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

• ChemBase ID: 87268
• Molecular Formular: C16H19BO2
• Molecular Mass: 254.13186
• Monoisotopic Mass: 254.14781025
• SMILES: B1(c2ccc3ccccc3c2)OC(C)(C)C(O1)(C)C
• Canonical SMILES: CC1(C)OB(OC1(C)C)c1ccc2c(c1)cccc2
• InChI: InChI=1S/C16H19BO2/c1-15(2)16(3,4)19-17(18-15)14-10-9-12-7-5-6-8-13(12)11-14/h5-11H,1-4H3
• InChIKey: SPPZBAGKKBHZRW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,4,5,5-tetramethyl-2-(naphthalen-2-yl)-1,3,2-dioxaborolane
• IUPAC Traditional name: 4,4,5,5-tetramethyl-2-(naphthalen-2-yl)-1,3,2-dioxaborolane
• Synonyms: 2-(Naphth-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; Naphthalene-2-boronic acid, pinacol ester; Naphthalene-2-boronic acid pinacol ester

Database IDs

• CAS Number: 256652-04-7
• MDL Number: MFCD05663868
• PubChem SID: 162074379
• PubChem CID: 10753409

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.9026
• LogD (pH = 7.4): 4.9026
• Log P: 4.9026
• Molar Refractivity: 72.1633 cm^3
• Polarizability: 31.602036 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant/Store under Argon

Product Information

• Purity: 97%