sodium triphenylborane oxidanide

• ChemBase ID: 138823
• Molecular Formular: C18H16BNaO
• Molecular Mass: 282.11981
• Monoisotopic Mass: 282.11918981
• SMILES: B(c1ccccc1)(c1ccccc1)c1ccccc1.[OH-].[Na+]
• Canonical SMILES: c1ccc(cc1)B(c1ccccc1)c1ccccc1.[OH-].[Na+]
• InChI: InChI=1S/C18H15B.Na.H2O/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;/h1-15H;;1H2/q;+1;/p-1
• InChIKey: NBZUMVYYQTYYAN-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium triphenylborane oxidanide
• IUPAC Traditional name: sodium triphenylborane oxidanide
• Synonyms: Triphenylborane-Sodium hydroxide adduct solution; 三苯基硼烷-氢氧化钠加合物 溶液

Database IDs

• CAS Number: 12113-07-4
• MDL Number: MFCD00003008
• PubChem SID: 24855908; 162233074
• PubChem CID: 16211751

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.9066
• LogD (pH = 7.4): 5.9066
• Log P: 5.9066
• Molar Refractivity: 76.4229 cm^3
• Polarizability: 31.729559 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Density: 1.07 g/mL at 25 °C
• Refractive Index: n20/D 1.378

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 3267
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 34-52/53
• Safety Statements: 26-36/37/39-45-61
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314-H412
• GHS Precautionary statements: P273-P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3267 8/PG 2

Product Information

• Concentration: 6-10 wt. % in H2O
• Compostion: NaCl, 6-7%; NaOH, 3-4%
• Linear Formula: (C6H5)3B · NaOH