bis(chlorolithium); coppercarbonitrile

• ChemBase ID: 143005
• Molecular Formular: CCl2CuLi2N
• Molecular Mass: 174.3514
• Monoisotopic Mass: 172.90238597
• SMILES: [Li]Cl.[Li]Cl.C(#N)[Cu]
• Canonical SMILES: [Cu]C#N.Cl[Li].Cl[Li]
• InChI: InChI=1S/CN.2ClH.Cu.2Li/c1-2;;;;;/h;2*1H;;;/q;;;;2*+1/p-2
• InChIKey: QGXKBLXNBYNHBV-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(chlorolithium); coppercarbonitrile
• IUPAC Traditional name: cuprous cyanide; bis(lithium chloride)
• Synonyms: Copper(I) cyanide di(lithium chloride) complex solution; 氰化亚铜双(氯化锂)络合物 溶液

Database IDs

• PubChem SID: 162237231
• PubChem CID: 71310844

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.0461
• LogD (pH = 7.4): 0.0461
• Log P: 0.0461
• Molar Refractivity: 6.6556 cm^3
• Polarizability: 5.5687637 Å^3
• Polar Surface Area: 23.79 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 1.4 °F; -17 °C
• Density: 0.999 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Flammable (F); Nature polluting (N); Highly toxic (T+)
• UN Number: 1992
• German water hazard class: 2
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-19-26/27/28-32-36/37-50/53
• Safety Statements: 16-26-28-36/37-45-61
• GHS Pictograms: GHS02; GHS06; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H300-H310-H315-H319-H330-H335-H410
• GHS Precautionary statements: P210-P260-P264-P273-P280-P284
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1992 3/PG 2
• Supplemental Hazard Statements: May form explosive peroxides.

Product Information

• Concentration: in anhydrous tetrahydrofuran
• Linear Formula: CuCN · 2LiCl

DETAILS

Sigma Aldrich - 697257

Application
Useful precursor for organocopper(I) and organocuprate(I) reagents.
Packaging
50 mL in Sure/Seal™