chlorocopper; bis(chlorolithium)

• ChemBase ID: 142669
• Molecular Formular: Cl3CuLi2
• Molecular Mass: 183.787
• Monoisotopic Mass: 181.86816464
• SMILES: [Li]Cl.[Li]Cl.Cl[Cu]
• Canonical SMILES: [Li]Cl.[Li]Cl.Cl[Cu]
• InChI: InChI=1S/3ClH.Cu.2Li/h3*1H;;;/q;;;3*+1/p-3
• InChIKey: QJRAZNXUNZEAQH-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: chlorocopper; bis(chlorolithium)
• IUPAC Traditional name: cuprous chloride; bis(lithium chloride)
• Synonyms: Copper(I) chloride - bis(lithium chloride) complex; 氯化亚铜-双(氯化锂)络合物

Database IDs

• PubChem SID: 162236895
• PubChem CID: 11745290

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 0.6345
• LogD (pH = 7.4): 0.6345
• Log P: 0.6345
• Molar Refractivity: 6.1363 cm^3
• Polarizability: 3.6662455 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: -15 °C; 5 °F
• Density: 1.015 g/mL at 25 °C
• Refractive Index: n20/D 1.442

Safety Information

• European Hazard Symbols: Flammable (F); Harmful (Xn)
• UN Number: 1993
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-19-36/37-51/53
• Safety Statements: 26-60-61
• RID/ADR: UN 1993 3/PG 2

Product Information

• Concentration: 1 M in THF
• Linear Formula: CuCl · 2LiCl

DETAILS

Sigma Aldrich - 701742

Application
Solution used in Cu(I) transmetallation for amination reaction1,2
Packaging
50 mL in glass bottle