bis(chlororhodium); tetrakis(cyclooctene)

• ChemBase ID: 149681
• Molecular Formular: C32H56Cl2Rh2
• Molecular Mass: 717.50404
• Monoisotopic Mass: 716.18691515
• SMILES: C1CCC=CCCC1.C1CCC=CCCC1.C1CCC=CCCC1.C1CCC=CCCC1.Cl[Rh].Cl[Rh]
• Canonical SMILES: C1CCCC=CCC1.C1CCCC=CCC1.C1CCCC=CCC1.C1CCCC=CCC1.[Rh]Cl.[Rh]Cl
• InChI: InChI=1S/4C8H14.2ClH.2Rh/c4*1-2-4-6-8-7-5-3-1;;;;/h4*1-2H,3-8H2;2*1H;;/q;;;;;;2*+1/p-2
• InChIKey: GQPAPAIPOLEZHT-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(chlororhodium); tetrakis(cyclooctene)
• IUPAC Traditional name: bis(chlororhodium); tetrakis(cyclooctene)
• Synonyms: [Rh(coe)2Cl]2; Chlorobis(cyclooctene)rhodium(I),dimer; 双环辛烯氯化铑二聚体

Database IDs

• CAS Number: 12279-09-3
• MDL Number: MFCD00013287
• PubChem SID: 24858255

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.1946278
• LogD (pH = 7.4): 3.1946278
• Log P: 3.1946278
• Molar Refractivity: 37.9246 cm^3
• Polarizability: 14.547113 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 190 °C (dec.)(lit.)

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/21/22-36/37/38
• Safety Statements: 26-37/39
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H312-H315-H319-H332-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 98%
• Empirical Formula (Hill Notation): C32H56Cl2Rh2

DETAILS

Sigma Aldrich - 302473

Application
Precusor for rhodium(I) and used as a precatalyst in a variety of reactions including aryl- and vinyl-C-H bond activation, hydroiminoacylation, cycloisomerization, and C-C bond activation
Packaging
1 g in glass bottle
250 mg in glass bottle