bis(dichlororhodiumylium); bis(pentamethylcyclopenta-2,4-dien-1-ide)

• ChemBase ID: 140457
• Molecular Formular: C20H30Cl4Rh2
• Molecular Mass: 618.0752
• Monoisotopic Mass: 615.92116968
• SMILES: Cl[Rh+]Cl.Cl[Rh+]Cl.CC1=C([C-](C(=C1C)C)C)C.CC1=C([C-](C(=C1C)C)C)C
• Canonical SMILES: C[C-]1C(=C(C(=C1C)C)C)C.C[C-]1C(=C(C(=C1C)C)C)C.Cl[Rh+]Cl.Cl[Rh+]Cl
• InChI: InChI=1S/2C10H15.4ClH.2Rh/c2*1-6-7(2)9(4)10(5)8(6)3;;;;;;/h2*1-5H3;4*1H;;/q2*-1;;;;;2*+3/p-4
• InChIKey: AUBQNRPCZLEJIZ-UHFFFAOYSA-J

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(dichlororhodiumylium); bis(pentamethylcyclopenta-2,4-dien-1-ide)
• IUPAC Traditional name: bis(dichlororhodiumylium); bis(pentamethylcyclopenta-2,4-dien-1-ide)
• Synonyms: Tetrachlorobis(pentamethylcyclopentadienyl)dirhodium; Pentamethylcyclopentadienylrhodium(III) chloride dimer; 1,3-Cyclopentadiene, 1,2,3,4,5-pentamethyl-, rhodium complex; Bis(dichloro(pentamethylcyclopentadienyl)rhodium); Bis(pentamethylcyclopentadienylrhodium dichloride); Dichloro(pentamethylcyclopentadienyl)rhodium(II) dimer; 二氯(五甲基环戊二烯基)合铑(III)二聚体

Database IDs

• CAS Number: 12354-85-7
• MDL Number: MFCD00061552
• PubChem SID: 162234701; 24860540
• PubChem CID: 71310421

CALCULATED PROPERTIES

• Acid pKa: 16.574366
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.7594643
• LogD (pH = 7.4): 2.7594643
• Log P: 4.3233
• Molar Refractivity: 46.921 cm^3
• Polarizability: 17.660542 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/21/22-36/37/38
• Safety Statements: 26-36
• 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: 97%
• Linear Formula: [Rh(C5Me5)Cl2]2

DETAILS

Sigma Aldrich - 686891

Packaging
2 g in glass bottle
500 mg in glass bottle
Legal Information
A product of Umicore.
Application
Umicore Precatalysts for Asymmetric and Cross-Coupling CatalysisCatalyst for:
• Oxidative olefination reactions1
• C-C bond cleavage of secondary alcohols2
• Ortho C-H olefination of phenol derivatives3
• Oxidative annulation of pyridines4
• Oxidative ortho-acylation of benzamides with aldehydes via direct functionalization of the sp2 C-H bond5
• Amidation reactions6
• Reductive alkylation reactions7

Sigma Aldrich - 338370

Packaging
1 g in glass bottle
250 mg in glass bottle
Application
Umicore Precatalysts for Asymmetric and Cross-Coupling CatalysisCatalyst for:
• Oxidative olefination reactions1
• C-C bond cleavage of secondary alcohols2
• Ortho C-H olefination of phenol derivatives3
• Oxidative annulation of pyridines4
• Oxidative ortho-acylation of benzamides with aldehydes via direct functionalization of the sp2 C-H bond5
• Amidation reactions6
• Reductive alkylation reactions7