dilithium(1+) ion tetrabromonickeldiuide

• ChemBase ID: 150184
• Molecular Formular: Br4Li2Ni
• Molecular Mass: 392.1914
• Monoisotopic Mass: 387.6407
• SMILES: [Li+].[Li+].[Ni-2](Br)(Br)(Br)Br
• Canonical SMILES: Br[Ni-2](Br)(Br)Br.[Li+].[Li+]
• InChI: InChI=1S/4BrH.2Li.Ni/h4*1H;;;/q;;;;2*+1;+2/p-4
• InChIKey: AVJDNPHXGKKFIA-UHFFFAOYSA-J

NAMES AND DATABASE IDS

Names

• IUPAC name: dilithium(1+) ion tetrabromonickeldiuide
• IUPAC Traditional name: dilithium(1+) ion tetrabromonickelate(2-)
• Synonyms: Lithium tetrabromonickelate(II) solution; di-Lithium tetrabromonickelate(II); Dilithium tetrabromonickelate(II) solution; 二锂四溴镍酸盐(II); 锂四溴镍酸盐(II) 溶液; 四溴镍酸二锂(II) 溶液

Database IDs

• CAS Number: 13826-95-4
• MDL Number: MFCD00192058
• PubChem SID: 162244345; 24866440
• PubChem CID: 11047451

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.8964
• LogD (pH = 7.4): 3.8964
• Log P: 3.8964
• Molar Refractivity: 34.9408 cm^3
• Polarizability: 17.48607 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: dark blue; liquid
• Boiling Point: 67 °C
• Flash Point: -.4 °F; 0 °F; -18 °C
• Density: 1.065 g/mL at 25 °C; 1.07 g/mL at 20 °C

Safety Information

• European Hazard Symbols: Flammable (F); Toxic (T)
• UN Number: 1993
• German water hazard class: 1; 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 45-11-19-36/37; 45-11-36/37
• Safety Statements: 53-16-26-33-36/37/39-45; 53-16-26-45
• GHS Pictograms: GHS02; GHS07; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H319-H335-H350
• GHS Precautionary statements: P201-P210-P261-P305 + P351 + P338-P308 + P313
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1993 3/PG 2
• Supplemental Hazard Statements: May form explosive peroxides.
• Storage Temperature: 2-8°C

Product Information

• Concentration: 0.5 M in THF
• Grade: purum
• Linear Formula: Li2NiBr4

DETAILS

Sigma Aldrich - 422592

Packaging
100, 800 mL in Sure/Seal™
Application
Catalyst for the regioselective preparation of magnetic resonance contrast agents1Reagent for:
• Regioselective synthesis of (-)-gallocatechin2
• Synthesis of ATP mimics3
• Reaction with unsaturated epoxides4

Sigma Aldrich - 62605

Other Notes
Reagent for the regio- and stereoselective opening of epoxides to hydroxy bromides5,6,7,8
Application
Catalyst for the regioselective preparation of magnetic resonance contrast agents1Reagent for:
• Regioselective synthesis of (-)-gallocatechin2
• Synthesis of ATP mimics3
• Reaction with unsaturated epoxides4