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

• ChemBase ID: 142560
• Molecular Formular: C16H24F6RhSb
• Molecular Mass: 555.0176792
• Monoisotopic Mass: 553.98753909
• SMILES: C1C=CCCC=CC1.C1C=CCCC=CC1.F[Sb-](F)(F)(F)(F)F.[Rh+]
• Canonical SMILES: C1CC=CCCC=C1.C1CC=CCCC=C1.F[Sb-](F)(F)(F)(F)F.[Rh+]
• InChI: InChI=1S/2C8H12.6FH.Rh.Sb/c2*1-2-4-6-8-7-5-3-1;;;;;;;;/h2*1-2,7-8H,3-6H2;6*1H;;/q;;;;;;;;+1;+5/p-6
• InChIKey: BROZUPPJWNODCU-UHFFFAOYSA-H

NAMES AND DATABASE IDS

Names

• IUPAC name: λ^1-rhodium(1+) ion bis(cycloocta-1,5-diene) hexafluorostibanuide; λ^1-rhodium(1+) ion bis((1Z,5Z)-cycloocta-1,5-diene) hexafluorostibanuide
• IUPAC Traditional name: λ^1-rhodium(1+) ion bis(1,5-cyclooctadiene) hexafluorostibanuide; λ^1-rhodium(1+) ion bis(1,5-cyclooctadiene, (Z,Z)-) hexafluorostibanuide
• Synonyms: Bis(1,5-cyclooctadiene)rhodium(I) hexafluoroantimonate; 双(1,5-环辛二烯)铑(I)六氟化锑盐

Database IDs

• CAS Number: 130296-28-5
• MDL Number: MFCD11113031
• PubChem SID: 162236787
• PubChem CID: 16688726

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: false

PROPERTIES

Physical Property

• Apperance: Crystalline powder
• Melting Point: 58-60 °C

Safety Information

• European Hazard Symbols: Nature polluting (N); X
• UN Number: UN3077
• German water hazard class: 3
• Hazard Class: 9
• Packing Group: III
• Risk Statements: 20/22-51/53
• Safety Statements: 61
• TSCA Listed: 否
• GHS Pictograms: GHS07; GHS09
• GHS Hazard statements: H302-H332-H411-H401
• GHS Precautionary statements: P261-P273-P304+P340-P301+P312-P312-P501A
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: -20°C

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C16H24F6RhSb

DETAILS

Sigma Aldrich - 701629

Packaging
1 g in glass bottle
250 mg in glass bottle
Application
Catalyst for:
• [3+2] Cycloaddition1
• Preparation of diastereomeric chiral phosphorus mon- and bidentate diamidophosphite ligands based on dianydromannitol and their use in asymmetric metallocomplex catalysis2
• C-C bond-forming hydrogenation3,4