bis(chlororhodium); bis(hexa-1,5-diene)

• ChemBase ID: 146525
• Molecular Formular: C12H20Cl2Rh2
• Molecular Mass: 441.0042
• Monoisotopic Mass: 439.905214
• SMILES: C=CCCC=C.C=CCCC=C.Cl[Rh].Cl[Rh]
• Canonical SMILES: C=CCCC=C.C=CCCC=C.[Rh]Cl.[Rh]Cl
• InChI: InChI=1S/2C6H10.2ClH.2Rh/c2*1-3-5-6-4-2;;;;/h2*3-4H,1-2,5-6H2;2*1H;;/q;;;;2*+1/p-2
• InChIKey: HXNWPVBAYNUADR-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(chlororhodium); bis(hexa-1,5-diene)
• IUPAC Traditional name: bis(1,5-hexadiene); bis(chlororhodium)
• Synonyms: Di-μ-chlorobis[(1,2,5,6-η)-1,5-hexadiene]dirhodium; Chloro(1,5-hexadiene)rhodium(I),dimer; (1,5-己二烯)氯化铑(I)二聚体

Database IDs

• CAS Number: 32965-49-4
• MDL Number: MFCD00064595
• PubChem SID: 24855679

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.523162
• LogD (pH = 7.4): 2.523162
• Log P: 2.523162
• Molar Refractivity: 29.4964 cm^3
• Polarizability: 11.380313 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 118-120 °C(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Safety Statements: 26-27-36/37/39

Product Information

• Purity: 98%
• Linear Formula: [(H2C=CHCH2CH2CH=CH2)RhCl]2

DETAILS

Sigma Aldrich - 259039

Application
Useful catalyst for the reduction of arenes and heterocyclic compounds using CTAB or THS as phase-transfer catalyst.3,4
Catalyst for:
• Hydrogenation1
• Enantioselective hydrosilylation2
Packaging
250 mg in glass bottle