silver(1+) ion 2,6-bis[(di-tert-butylphosphanyl)methyl]pyridine tetrafluoroboranuide

• ChemBase ID: 144424
• Molecular Formular: C23H43AgBF4NP2
• Molecular Mass: 590.2145548
• Monoisotopic Mass: 589.19508892
• SMILES: [B-](F)(F)(F)F.CC(C)(C)P(Cc1cccc(n1)CP(C(C)(C)C)C(C)(C)C)C(C)(C)C.[Ag+]
• Canonical SMILES: CC(P(C(C)(C)C)Cc1cccc(n1)CP(C(C)(C)C)C(C)(C)C)(C)C.F[B-](F)(F)F.[Ag+]
• InChI: InChI=1S/C23H43NP2.Ag.BF4/c1-20(2,3)25(21(4,5)6)16-18-14-13-15-19(24-18)17-26(22(7,8)9)23(10,11)12;;2-1(3,4)5/h13-15H,16-17H2,1-12H3;;/q;+1;-1
• InChIKey: MHUQMBQVIZYFEM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: silver(1+) ion 2,6-bis[(di-tert-butylphosphanyl)methyl]pyridine tetrafluoroboranuide
• IUPAC Traditional name: silver(1+) ion 2,6-bis[(di-tert-butylphosphanyl)methyl]pyridine tetrafluoroborate
• Synonyms: 2,6-Bis[(di-tert-butylphosphino)methyl]pyridine silver(I) tetrafluoroborate

Database IDs

• MDL Number: MFCD18910704
• PubChem SID: 162238639
• PubChem CID: 71311084

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.0942879
• LogD (pH = 7.4): 3.518403
• Log P: 4.0151
• Molar Refractivity: 129.3887 cm^3
• Polarizability: 48.059116 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 272-277 °C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C23H43AgBF4NP2

DETAILS

Sigma Aldrich - 736643

Packaging
1 g in glass bottle
250 mg in glass bottle