λ1-copper(1+) ion chloride

• ChemBase ID: 302849
• Molecular Formular: ClCu
• Molecular Mass: 98.999
• Monoisotopic Mass: 97.89845018
• SMILES: [Cl-].[Cu+]
• Canonical SMILES: [Cl-].[Cu+]
• InChI: InChI=1S/ClH.Cu/h1H;/q;+1/p-1
• InChIKey: OXBLHERUFWYNTN-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: λ^1-copper(1+) ion chloride
• IUPAC Traditional name: λ^1-copper(1+) ion chloride
• Synonyms: Copper(I) chloride, ACS; Copper(I) chloride; 氯化亚铜(I), ACS; 氯化亚铜(I)

Database IDs

• CAS Number: 7758-89-6
• EC Number: 231-842-9
• MDL Number: MFCD00010971
• Merck Index: 142660

CALCULATED PROPERTIES

• Acid pKa: -7.0
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 0.8327582
• LogD (pH = 7.4): 0.8327582
• Log P: 0.6123387
• Molar Refractivity: 5.6156 cm^3
• Polarizability: 2.1090326 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Sparingly soluble in water. Insoluble in alcohol and acetone. Soluble in HCl, and NH4OH
• Apperance: -80 Mesh Powder; Powder
• Melting Point: 430°C
• Boiling Point: 1490°C
• Density: 4.14
• Refractive Index: 1.93

Safety Information

• Storage Warning: Air & Moisture Sensitive
• RTECS: GL6990000
• European Hazard Symbols: Nature polluting (N); X
• UN Number: UN2802
• Hazard Class: 8
• Packing Group: III
• Risk Statements: 22-50/53
• Safety Statements: 22-60-61
• TSCA Listed: 是
• GHS Pictograms: GHS07; GHS09
• GHS Hazard statements: H400-H410-H302
• GHS Precautionary statements: P273-P264-P270-P301+P312-P330-P501A

Product Information

• Purity: 90+%; 97%; 99% (metals basis); 99.999% (metals basis)

REFERENCES

• For use in the oxidative cleavage of phenols, see Catechol, A10164.
• For use in the Simmons-Smith cyclopropanation reaction, see Dibromomethane, A10456.
• A 1:1 mixture with 2,2'-bipyridine catalyzes the cyclization of allyl trichloroacetamides to -lactams: J. Org. Chem ., 58, 464 (1993).
• Catalyst for the Sandmeyer preparation of aryl chlorides; for use in the related conversion of aryldiazonium salts to sulfonyl chlorides with SO₂, see: Org. Synth. Coll., 7, 508 (1990).
• Used in combination with Tris(3,6-dioxaheptyl)amine, L13544, in the Ullmann aryl ether synthesis: J. Org. Chem., 50, 3717 (1985), and an improved N-arylation of amides: Synthesis, 312 (1989).
• In combination with TMEDA, promotes the Hay (improved Glaser) coupling of terminal acetylenes: Org. Synth. Coll., 8, 63 (1993).