dichloronickel bis(tetraethylazanium) dichloride

• ChemBase ID: 134534
• Molecular Formular: C16H40Cl4N2Ni
• Molecular Mass: 461.0076
• Monoisotopic Mass: 458.12990291
• SMILES: CC[N+](CC)(CC)CC.CC[N+](CC)(CC)CC.[Cl-].[Cl-].Cl[Ni]Cl
• Canonical SMILES: CC[N+](CC)(CC)CC.CC[N+](CC)(CC)CC.Cl[Ni]Cl.[Cl-].[Cl-]
• InChI: InChI=1S/2C8H20N.4ClH.Ni/c2*1-5-9(6-2,7-3)8-4;;;;;/h2*5-8H2,1-4H3;4*1H;/q2*+1;;;;;+2/p-4
• InChIKey: LBROWQNNUGFYKG-UHFFFAOYSA-J

NAMES AND DATABASE IDS

Names

• IUPAC name: dichloronickel bis(tetraethylazanium) dichloride
• IUPAC Traditional name: nickel chloride bis(tetraethylammonium) dichloride
• Synonyms: Tetraethylammonium tetrachloronickelate(II); 四氯镍酸四乙基铵

Database IDs

• CAS Number: 5964-71-6
• MDL Number: MFCD04974085
• PubChem SID: 162228810; 24880815
• PubChem CID: 13437962

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -2.5449352
• LogD (pH = 7.4): -2.5449352
• Log P: -2.5449352
• Molar Refractivity: 54.8961 cm^3
• Polarizability: 16.958946 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: powder
• Melting Point: >300 °C(lit.)

Safety Information

• European Hazard Symbols: Toxic (T)
• UN Number: 3263
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 45-34-43
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS05; GHS07; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H314-H317-H350
• GHS Precautionary statements: P201-P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 3263 8/PG 2

Product Information

• Purity: 99.999% trace metals basis
• Empirical Formula (Hill Notation): C16H40Cl4N2Ni