bis((1s,4s)-bicyclo[2.2.1]hepta-2,5-diene); bis(chlororhodium)

• ChemBase ID: 139982
• Molecular Formular: C14H16Cl2Rh2
• Molecular Mass: 460.99384
• Monoisotopic Mass: 459.87391387
• SMILES: C1[C@H]2C=C[C@@H]1C=C2.C1[C@H]2C=C[C@@H]1C=C2.Cl[Rh].Cl[Rh]
• Canonical SMILES: C1=C[C@@H]2C[C@H]1C=C2.C1=C[C@@H]2C[C@H]1C=C2.[Rh]Cl.[Rh]Cl
• InChI: InChI=1S/2C7H8.2ClH.2Rh/c2*1-2-7-4-3-6(1)5-7;;;;/h2*1-4,6-7H,5H2;2*1H;;/q;;;;2*+1/p-2/t2*6-,7+
• InChIKey: RXDWVIOULPVOEO-SEGRDSFWSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: bis((1s,4s)-bicyclo[2.2.1]hepta-2,5-diene); bis(chlororhodium)
• IUPAC Traditional name: bis((1s,4s)-bicyclo[2.2.1]hepta-2,5-diene); bis(chlororhodium)
• Synonyms: [Rh(nbd)Cl]2; dichlorobis(norbornadiene)dirhodium; 2,5-Norbornadiene-rhodium(I) chloride dimer; Chloro(2,5-norbornadiene)rhodium(I) dimer; Rhodium(I) chloride 2,5-Norbornadiene complex dimer; Bicyclo[2.2.1]hepta-2,5-diene-rhodium(I) chloride dimer; Chloro(norbornadiene)rhodium(I) dimer; Di-mu-chlorobis(norbornadiene)dirhodium(I); 二氯化二铑(双降冰片二烯); 氯化降冰片二烯铑二聚物; 降冰片二烯氯化铑二聚体; 氯降冰片二烯铑二聚体; 二氯化二铑(双降冰片二烯) 铑 44% 最低

Database IDs

• CAS Number: 12257-42-0
• EC Number: 235-510-4
• MDL Number: MFCD00198060
• PubChem SID: 24855024

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.6093123
• LogD (pH = 7.4): 1.6093123
• Log P: 1.6093123
• Molar Refractivity: 32.5332 cm^3
• Polarizability: 11.724419 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Powder

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 96%; Rh 44% min
• Empirical Formula (Hill Notation): C14H16Cl2Rh2

DETAILS

Sigma Aldrich - 249939

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

Sigma Aldrich - 683167

Application
Catalyst for valence isomerization and N-heterocyclization; incombination with phosphorus ligands are catalysts for hydrogenationof many functional groups and hydroformylation; withchiral ligands are catalysts for asymmetric hydrogenation
Umicore Precatalysts for Asymmetric and Cross-Coupling CatalysisHydrosilylation Catalysts
Packaging
2 g in glass bottle
500 mg in glass bottle
Legal Information
A product of Umicore.