tris(ethane-1,2-diamine) trichlororhodium trihydrate

• ChemBase ID: 149238
• 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[Rh](Cl)Cl
• Canonical SMILES: Cl[Rh](Cl)Cl.NCCN.NCCN.NCCN.O.O.O
• 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: tris(ethane-1,2-diamine) trichlororhodium trihydrate
• IUPAC Traditional name: tris(ethylenediamine) trichlororhodium trihydrate
• Synonyms: Tris(ethylenediamine)rhodium(III) chloride trihydrate; Trichlorotris(ethylenediamine)rhodium(III) trihydrate; 三(乙二胺)三氯化铑(III) 三水合物; 三(乙二胺)三氯化铑 三水合物

Database IDs

• CAS Number: 15004-86-1
• MDL Number: MFCD00149661
• PubChem SID: 162243406; 24859371
• PubChem CID: 16212036

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

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: ≥99.9%
• Linear Formula: (H2NCH2CH2NH2)3RhCl3 · 3H2O

DETAILS

Sigma Aldrich - 323500

Packaging
2 g in glass bottle
500 mg in glass bottle