diphenylboranyl diphenylborinate

• ChemBase ID: 155785
• Molecular Formular: C24H20B2O
• Molecular Mass: 346.037
• Monoisotopic Mass: 346.17002606
• SMILES: B(c1ccccc1)(c1ccccc1)OB(c1ccccc1)c1ccccc1
• Canonical SMILES: O(B(c1ccccc1)c1ccccc1)B(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C24H20B2O/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22)27-26(23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H
• InChIKey: SNQFEECGHGUHBK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diphenylboranyl diphenylborinate
• IUPAC Traditional name: diphenylboranyl diphenylborinate
• Synonyms: Oxybis(diphenylborane); Tetraphenyldiboroxane; Diphenylborinic anhydride

Database IDs

• CAS Number: 4426-21-5
• MDL Number: MFCD00042663
• Beilstein Number: 2950331
• PubChem SID: 24866798; 162249923; 24862030
• PubChem CID: 596810

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 8.88
• LogD (pH = 7.4): 8.88
• Log P: 8.88
• Molar Refractivity: 103.2474 cm^3
• Polarizability: 43.984673 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 135-140 °C; 135-140 °C(lit.)
• Fluorescence: λex 366 nm; λem 475 nm (after derivatization)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥95.0% (T); 95%
• Grade: for fluorescence; purum p.a.
• Linear Formula: (C6H5)2BOB(C6H5)2

DETAILS

Sigma Aldrich - 358835

Packaging
1 g in glass bottle
250 mg in glass bottle

Sigma Aldrich - 42815

Other Notes
Reagent used in the fluorometric determination of primary amines by thin-layer chromatography 1; and high-performance liquid chromatography 2,3