Dilithium;tetrabromonickel(2-)
Basic information
- CAS
13826-95-4- Standard SMILES
[Br][Ni-2]([Br])([Br])[Br].[Li+].[Li+]- InChIKey
AVJDNPHXGKKFIA-UHFFFAOYSA-J- Molecular formula
- Br4Li2Ni
- Average molar mass
- 392.2 g/mol
- Monoisotopic mass
- 387.6407
Overview
See also: di-Lithium tetrabromonickelate(II) (annotation moved to).
Names & identifiers
- Preferred name
- Dilithium;tetrabromonickel(2-)
- IUPAC
- dilithium;tetrabromonickel(2-)
- English name
- Lithium tetrabromonickelate(II)
- Molecular formula
- Br4Li2Ni
- Molecular weight
- 392.19
Names & synonyms
13826-95-4dilithium;tetrabromonickel(2-)Dilithium tetrabromonickelate(ii)LITHIUM TETRABROMONICKELATE(II)AGN-PC-0NF0DXDilithiumtetrabromonickelate(ii)SCHEMBL29394471DTXSID20453236Dilithium tetrabromidonickelate(2-)Dilithium tetrabromonickelate(II), 0.5M solution in THF, packaged in resealable Chemseal bottlesate(II)tetrabromonickel(2-)
Show more names
ithium tetrabromonickeLLithium tetrabromonickelate0.5MsolutioninTetrahydrofuranedilithium,tetrabromonickel(2-)Hexaamminenickel(II) bromide 99.999%di-lithium tetrabromonickelate(ii) sol.
Database identifiers
- CAS
13826-95-4- PubChem CID
- 11047451
- DTXSID
DTXSID20453236
Properties
Computed structural properties
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 19.1
Physicochemical properties
- Boiling point
- 67 °C · 67 °C
- Density
- 1.07 g/mL · 1.07 g/mL at 20 °C
- Flash point
- 2 °F · −2 °F
- storage temp.
- 2 · 2-8°C
- solubility
- sol THF
- form
- liquid
- color
- dark blue
- InChI
- 1S/4BrH.2Li.Ni/h4*1H;;;/q;;;;2*+1;+2/p-4
- InChIKey
- AVJDNPHXGKKFIA-UHFFFAOYSA-J
- SMILES
- [Li+].[Li+].Br[Ni--](Br)(Br)Br
- UNSPSC Code
- 12352300 · 12352300
- Symbol(GHS)
- 2 · GHS02,GHS07,GHS08
- Signal word
- Danger
- Hazard statements
- 225 · H225-H319-H335-H350
- Precautionary statements
- 201 · P201-P210-P280-P308+P313-P370+P378-P403+P235
- target organs
- Respiratory system
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- F
- 10-21
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 1
- ridadr
- UN 1993 3/PG 2
- hs_code
- 28429080
- risk_code
- 45-11-36/37-19
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07,GHS08
- hazard_code
- F,T
- safety_code
- 53-16-26-33-36/37/39-45
- Storage Class
- 3 - Flammable liquids
- target organs
- Respiratory system
- Hazard statements
- H225-H319-H335-H350
- Hazard Classifications
- Carc. 1BEye Irrit. 2Flam. Liq. 2STOT SE 3
- Precautionary statements
- P201-P210-P280-P308+P313-P370+P378-P403+P235
Chemistry & industry
Applications
UsesCatalyst for the regioselective preparation of magnetic resonance contrast agents1Reagent for: • ;Regioselective synthesis of (-)-gallocatechin2• ;Synthesis of ATP mimics3• ;Reaction with unsaturated epoxides4
UsesCatalyst for the regioselective preparation of magnetic resonance contrast agentsReagent for: Regioselective synthesis of (-)-gallocatechinSynthesis of ATP mimicsReaction with unsaturated epoxides
General DescriptionDilithium Tetrabromonickelate(II) is a source of soft nucleophilic bromide, reacting with epoxides[1] and functionalized aziridines[2] regiospecifically.
Preparation methods
PreparationPreparative Method of Dilithium Tetrabromonickelate(II): anhydrous Lithium Bromide (6.96 g, 0.08 mol) and Nickel(II) Bromide (8.72 g, 0.04 mol) are stirred in dry THF (95 mL) at 25 °C. After 48 h, the stirring is stopped and undissolved solids are allowed to settle. The resulting clear dark blue solution is about 0.4M in Li2NiBr4. In reactions, 1.6 equiv of the reagent are typically added per equiv of substrate and allowed to stir at the requisite temperature until completion.[1,3]
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…