rhodium(3+) ion tris(ethane-1,2-diamine) trihydrate trichloride

• ChemBase ID: 302731
• Molecular Formular: C6H30Cl3N6O3Rh
• Molecular Mass: 443.6053
• Monoisotopic Mass: 442.05000089
• SMILES: C(CN)N.C(CN)N.C(CN)N.O.O.O.[Cl-].[Cl-].[Cl-].[Rh+3]
• Canonical SMILES: NCCN.NCCN.NCCN.O.O.O.[Cl-].[Cl-].[Cl-].[Rh+3]
• InChI: InChI=1S/3C2H8N2.3ClH.3H2O.Rh/c3*3-1-2-4;;;;;;;/h3*1-4H2;3*1H;3*1H2;/q;;;;;;;;;+3/p-3
• InChIKey: HHSLUQMEKOPKJG-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: rhodium(3+) ion tris(ethane-1,2-diamine) trihydrate trichloride
• IUPAC Traditional name: rhodium(3+) ion tris(ethylenediamine) trihydrate trichloride
• Synonyms: Trichlorotris(ethylenediamine)rhodium(III); Tris(ethylenediamine)rhodium(III) chloride trihydrate; 三(乙二胺)三氯化铑(III)三水合物

Database IDs

• CAS Number: 15004-86-1
• EC Number: 237-846-7
• MDL Number: MFCD00149661

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -5.91292
• LogD (pH = 7.4): -3.7797713
• Log P: -1.4224427
• Molar Refractivity: 17.8686 cm^3
• Polarizability: 7.4730473 Å^3
• Polar Surface Area: 52.04 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Crystalline
• Melting Point: 280°C dec.

Safety Information

• European Hazard Symbols: Irritant (Xi)
• 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

Product Information

• Purity: Rh 23.2%