tris(ethane-1,2-diamine) trichlorocobalt dihydrate

• ChemBase ID: 149190
• Molecular Formular: C6H28Cl3CoN6O2
• Molecular Mass: 381.61772
• Monoisotopic Mass: 380.06712721
• SMILES: C(CN)N.C(CN)N.C(CN)N.O.O.Cl[Co](Cl)Cl
• Canonical SMILES: Cl[Co](Cl)Cl.NCCN.NCCN.NCCN.O.O
• InChI: InChI=1S/3C2H8N2.3ClH.Co.2H2O/c3*3-1-2-4;;;;;;/h3*1-4H2;3*1H;;2*1H2/q;;;;;;+3;;/p-3
• InChIKey: ALLUKJGRPOLBEF-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: tris(ethane-1,2-diamine) trichlorocobalt dihydrate
• IUPAC Traditional name: cobalt chloride tris(ethylenediamine) dihydrate
• Synonyms: Tris(ethylenediamine)cobalt(III) chloride dihydrate; 三(乙二胺)氯化钴(III) 二水合物

Database IDs

• CAS Number: 207802-43-5
• PubChem SID: 162243358; 24855782
• PubChem CID: 71311392

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

• Melting Point: 275 °C (dec.)(lit.)

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

• Linear Formula: (H2NCH2CH2NH2)3CoCl3·2H2O

DETAILS

Sigma Aldrich - 260983

Packaging
10 g in glass bottle