cyclodirhodachlorane-1,3-bis(ylium)-2,4-diuide; tetrakis(methanidylidyneoxidanium)

• ChemBase ID: 147368
• Molecular Formular: C4Cl2O4Rh2
• Molecular Mass: 388.7574
• Monoisotopic Mass: 387.72837184
• SMILES: [C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cl+]1[Rh-][Cl+][Rh-]1
• Canonical SMILES: [Cl+]1[Rh-][Cl+][Rh-]1.[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-]
• InChI: InChI=1S/4CO.2Cl.2Rh/c4*1-2;;;;/q;;;;2*+1;2*-1
• InChIKey: ODYPMWFHWPMOKS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclodirhodachlorane-1,3-bis(ylium)-2,4-diuide; tetrakis(methanidylidyneoxidanium)
• IUPAC Traditional name: tetrakis(carbon monoxide); cyclodirhodachlorane-1,3-bis(ylium)-2,4-diuide
• Synonyms: Rhodium carbonyl chloride(I); Rhodium(I) carbonyl chloride; Rhodium(I) dicarbonyl chloride dimer; Tetracarbonyldi-μ-chlorodirhodium(I); Di-μ-chloro-tetracarbonyldirhodium(I); 二羰基氯化铑; 二羰基氯铑二聚体; 四羰基-μ-氯二铑(I); 氯化二羰酰铑; 二-μ-氯-四羰基二铑(I)

Database IDs

• CAS Number: 14523-22-9
• EC Number: 238-540-6
• MDL Number: MFCD00135610
• PubChem SID: 162241556; 24852228
• PubChem CID: 45072191

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.269
• LogD (pH = 7.4): 1.269
• Log P: 1.269
• Molar Refractivity: 12.2726 cm^3
• Polarizability: 14.370881 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 120-125 °C (dec.)(lit.)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥97.0% rhodium (Rh) basis; 97%
• Grade: purum
• Linear Formula: [Rh(CO)2Cl]2

DETAILS

Sigma Aldrich - 209031

Packaging
1 g in glass bottle
250 mg in glass bottle