tris(pyridine); trichloroiridium

• ChemBase ID: 147348
• Molecular Formular: C15H15Cl3IrN3
• Molecular Mass: 535.8757
• Monoisotopic Mass: 534.99608154
• SMILES: c1ccncc1.c1ccncc1.c1ccncc1.Cl[Ir](Cl)Cl
• Canonical SMILES: c1cccnc1.c1cccnc1.c1cccnc1.Cl[Ir](Cl)Cl
• InChI: InChI=1S/3C5H5N.3ClH.Ir/c3*1-2-4-6-5-3-1;;;;/h3*1-5H;3*1H;/q;;;;;;+3/p-3
• InChIKey: LRENBVDGVUKRKC-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: tris(pyridine); trichloroiridium
• IUPAC Traditional name: tris(pyridine); trichloroiridium
• Synonyms: Trichlorotris(pyridine)iridium(III); 三氯三(吡啶)铱(III)

Database IDs

• CAS Number: 15617-27-3
• MDL Number: MFCD00799595
• PubChem SID: 24870909; 162241538
• PubChem CID: 6099453

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

• Melting Point: 314 °C (dec.)(lit.)

Safety Information

• 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

• Empirical Formula (Hill Notation): C15H15Cl3IrN3

DETAILS

Sigma Aldrich - 473472

Packaging
1 g in glass bottle