sodium tetrakis(4-fluorophenyl)boranuide hydrate

• ChemBase ID: 9808
• Molecular Formular: C24H18BF4NaO
• Molecular Mass: 432.1935028
• Monoisotopic Mass: 432.12845276
• SMILES: [B-](c1ccc(cc1)F)(c1ccc(cc1)F)(c1ccc(cc1)F)c1ccc(cc1)F.[Na+].O
• Canonical SMILES: Fc1ccc(cc1)[B-](c1ccc(cc1)F)(c1ccc(cc1)F)c1ccc(cc1)F.O.[Na+]
• InChI: InChI=1S/C24H16BF4.Na.H2O/c26-21-9-1-17(2-10-21)25(18-3-11-22(27)12-4-18,19-5-13-23(28)14-6-19)20-7-15-24(29)16-8-20;;/h1-16H;;1H2/q-1;+1
• InChIKey: YNVHZVITHIOAMT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium tetrakis(4-fluorophenyl)boranuide hydrate
• IUPAC Traditional name: sodium tetrakis(4-fluorophenyl)boranuide hydrate
• Synonyms: Sodium tetrakis(4-fluorophenyl)borate hydrate; Sodium tetrakis(4-fluorophenyl)borate hydrate 98%

Database IDs

• CAS Number: 385812-51-1; 25776-12-9
• MDL Number: MFCD02183482; MFCD00010732
• PubChem SID: 160973115
• PubChem CID: 44890704

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.4668
• LogD (pH = 7.4): 6.4668
• Log P: 6.4668
• Molar Refractivity: 102.7628 cm^3
• Polarizability: 40.165684 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: IRRITANT, HYGROSCOPIC; Irritant/Hygroscopic/Keep Cold/Store under Argon
• TSCA Listed: false

Product Information

• Purity: 98%

DETAILS

Apollo Scientific Ltd - PC3241

Nonionic surfactant