λ1-rhodium(1+) ion bis(cycloocta-1,5-diene) tetrafluoroboranuide hydrate

• ChemBase ID: 140688
• Molecular Formular: C16H26BF4ORh
• Molecular Mass: 424.0871528
• Monoisotopic Mass: 424.10678773
• SMILES: [B-](F)(F)(F)F.C1C=CCCC=CC1.C1C=CCCC=CC1.O.[Rh+]
• Canonical SMILES: C1CC=CCCC=C1.C1CC=CCCC=C1.F[B-](F)(F)F.O.[Rh+]
• InChI: InChI=1S/2C8H12.BF4.H2O.Rh/c2*1-2-4-6-8-7-5-3-1;2-1(3,4)5;;/h2*1-2,7-8H,3-6H2;;1H2;/q;;-1;;+1
• InChIKey: NYMNQNLSUITCLM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: λ^1-rhodium(1+) ion bis(cycloocta-1,5-diene) tetrafluoroboranuide hydrate
• IUPAC Traditional name: λ^1-rhodium(1+) ion bis(1,5-cyclooctadiene) hydrate tetrafluoroborate
• Synonyms: Bis(1,5-cyclooctadiene)rhodium(I) tetrafluoroborate hydrate; 双(1,5-环辛二烯)四氟硼酸铑(I) 水合物

Database IDs

• CAS Number: 207124-65-0
• MDL Number: MFCD00167214
• PubChem SID: 24860274; 162234929
• PubChem CID: 16212128

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.832706
• LogD (pH = 7.4): 2.832706
• Log P: 2.832706
• Molar Refractivity: 39.0412 cm^3
• Polarizability: 14.319889 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 165 °C (dec.)(lit.)

Safety Information

• European Hazard Symbols: Flammable (F)
• UN Number: 2921
• German water hazard class: 2
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 11-34
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS02; GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H228-H314
• GHS Precautionary statements: P210-P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 2921 8/PG 2

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C16H24BF4Rh · xH2O

DETAILS

Sigma Aldrich - 334987

Packaging
100, 500 mg in poly bottle
Application
Umicore Precatalysts for Asymmetric and Cross-Coupling CatalysisHydrosilylation Catalysts

Sigma Aldrich - 683140

Packaging
2 g in amber poly
500 mg in amber poly
Legal Information
A product of Umicore
Application
Umicore Precatalysts for Asymmetric and Cross-Coupling CatalysisHydrosilylation Catalysts