dichlororhodiumylium tetrakis(pyridine) chloride

• ChemBase ID: 134842
• Molecular Formular: C20H20Cl3N4Rh
• Molecular Mass: 525.6641
• Monoisotopic Mass: 523.9808587
• SMILES: c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.[Cl-].Cl[Rh+]Cl
• Canonical SMILES: c1cccnc1.c1cccnc1.c1cccnc1.c1cccnc1.Cl[Rh+]Cl.[Cl-]
• InChI: InChI=1S/4C5H5N.3ClH.Rh/c4*1-2-4-6-5-3-1;;;;/h4*1-5H;3*1H;/q;;;;;;;+3/p-3
• InChIKey: SIIBZAPGWNBRSK-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: dichlororhodiumylium tetrakis(pyridine) chloride
• IUPAC Traditional name: dichlororhodiumylium tetrakis(pyridine) chloride
• Synonyms: trans-Dichlorotetrakis(pyridine)rhodium(III) chloride; 反-二氯四(吡啶)氯化铑(III)

Database IDs

• CAS Number: 14077-30-6
• EC Number: 237-929-8
• MDL Number: MFCD00799656
• PubChem SID: 162229118; 24880660
• PubChem CID: 71308937

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.6230428
• LogD (pH = 7.4): 0.75354445
• Log P: 0.7555734
• Molar Refractivity: 23.9011 cm^3
• Polarizability: 9.4423685 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: powder
• Melting Point: 285 °C (dec.)(lit.)

Safety Information

• RTECS: VI9310000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 98%
• Empirical Formula (Hill Notation): C20H20Cl3N4Rh