ammonium tetraphenylboranuide

• ChemBase ID: 148867
• Molecular Formular: C24H24BN
• Molecular Mass: 337.26506
• Monoisotopic Mass: 337.20018017
• SMILES: [B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[NH4+]
• Canonical SMILES: c1ccc(cc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1.[NH4+]
• InChI: InChI=1S/C24H20B.H3N/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;/h1-20H;1H3/q-1;/p+1
• InChIKey: ZWFYDLYRTYMBIL-UHFFFAOYSA-O

NAMES AND DATABASE IDS

Names

• IUPAC name: ammonium tetraphenylboranuide
• IUPAC Traditional name: ammonium tetraphenylborate
• Synonyms: Tetraphenylboron ammonium; Ammonium tetraphenylborate; 四苯硼铵; 四苯基硼酸铵

Database IDs

• CAS Number: 14637-34-4
• MDL Number: MFCD00134523
• Beilstein Number: 3799683
• PubChem SID: 24863748; 162243039
• PubChem CID: 14496924

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.9088
• LogD (pH = 7.4): 5.9088
• Log P: 5.9088
• Molar Refractivity: 101.8972 cm^3
• Polarizability: 41.872147 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 220 °C (dec.)(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 99%
• Linear Formula: NH4B(C6H5)4

DETAILS

Sigma Aldrich - 380520

Packaging
10 g in glass bottle