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

• ChemBase ID: 94689
• Molecular Formular: C16H24BF4Rh
• Molecular Mass: 406.0718728
• Monoisotopic Mass: 406.09622305
• SMILES: [B-](F)(F)(F)F.[Rh+].C1=CCCC=CCC1.C1=CCCC=CCC1
• Canonical SMILES: C1CC=CCCC=C1.C1CC=CCCC=C1.F[B-](F)(F)F.[Rh+]
• InChI: InChI=1S/2C8H12.BF4.Rh/c2*1-2-4-6-8-7-5-3-1;2-1(3,4)5;/h2*1-2,7-8H,3-6H2;;/q;;-1;+1
• InChIKey: NBGSCPNNKGVTKU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 35138-22-8
• MDL Number: MFCD00075045
• PubChem SID: 24848802; 162081343
• PubChem CID: 5702662

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

• Apperance: Powder
• Melting Point: ~190 °C (dec.); 190(dec.)°C

Safety Information

• Storage Warning: Highly Flammable/Irritant/Hygroscopic/Store under Argon
• 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
• TSCA Listed: 否
• 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

• Compostion: carbon content, 45.7-49.0%
• Empirical Formula (Hill Notation): C16H24BF4Rh

DETAILS

Sigma Aldrich - 14694

Other Notes
Rhodium complex employed for preparing cationic COD-Rh complexes with phosphine ligands, e.g. for enantioselective hydrogenation1,2,3; Hydrosilylation4
Packaging
100 mg in glass bottle