bis(ethane-1,2-diamine); trichlorocobalt

• ChemBase ID: 139300
• Molecular Formular: C4H16Cl3CoN4
• Molecular Mass: 285.48884
• Monoisotopic Mass: 283.97724957
• SMILES: C(CN)N.C(CN)N.Cl[Co](Cl)Cl
• Canonical SMILES: Cl[Co](Cl)Cl.NCCN.NCCN
• InChI: InChI=1S/2C2H8N2.3ClH.Co/c2*3-1-2-4;;;;/h2*1-4H2;3*1H;/q;;;;;+3/p-3
• InChIKey: GVMSQWCTZLHSQH-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(ethane-1,2-diamine); trichlorocobalt
• IUPAC Traditional name: cobalt chloride; bis(ethylenediamine)
• Synonyms: trans-Dichlorobis(ethylenediamine)cobalt(III) chloride; 反-二氯二(乙二胺)氯化钴(III)

Database IDs

• MDL Number: MFCD00054234
• PubChem SID: 162233548
• PubChem CID: 12127156

CALCULATED PROPERTIES

• 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: 2
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 2

PROPERTIES

Physical Property

• Apperance: powder and chunks
• Melting Point: 237-239 °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

• Purity: 99.999% trace metals basis
• Empirical Formula (Hill Notation): C4H16Cl3CoN4

DETAILS

Sigma Aldrich - 575909

Packaging
5, 25 g in glass bottle