λ1-copper(1+) ion bromide

• ChemBase ID: 110425
• Molecular Formular: BrCu
• Molecular Mass: 143.45
• Monoisotopic Mass: 141.8479345
• SMILES: [Cu+].[Br-]
• Canonical SMILES: [Cu+].[Br-]
• InChI: InChI=1S/BrH.Cu/h1H;/q;+1/p-1
• InChIKey: NKNDPYCGAZPOFS-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: λ^1-copper(1+) ion bromide; $l^{1}-copper(1+) ion bromide
• IUPAC Traditional name: λ^1-copper(1+) ion bromide; copper(1+) bromide
• Synonyms: Copper(I) bromide, Puratronic®; Copper(I) bromide; CUPROUS BROMIDE; 溴化亚铜(I), Puratronic®; 溴化亚铜(I)

Database IDs

• CAS Number: 7787-70-4
• EC Number: 231-159-6; 232-131-6
• MDL Number: MFCD00010969
• Merck Index: 142659
• PubChem SID: 162096015
• PubChem CID: 11715197

CALCULATED PROPERTIES

• H Donor: 0
• LogD (pH = 5.5): 0.156
• LogD (pH = 7.4): 0.156
• Log P: 0.156
• Molar Refractivity: 0.0 cm^3
• Polarizability: 3.5074239 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• H Acceptors: 0
• Acid pKa: 3.09

PROPERTIES

Physical Property

• Solubility: Slightly soluble in cold water. Decomposes in hot water. Soluble in HBr, HCl, NH4OH
• Apperance: Powder; Powder, Ampouled under argon
• Melting Point: 492°C
• Boiling Point: 1345°C
• Density: 4.98

Safety Information

• Storage Warning: Air Sensitive
• European Hazard Symbols: Nature polluting (N); X; Irritant (Xi)
• UN Number: UN3077
• Hazard Class: 9
• Packing Group: III
• Risk Statements: 22-36/37/38-50/53; 36/37/38
• Safety Statements: 26-36/37-45-60-61; 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS06; GHS07; GHS09
• GHS Hazard statements: H301-H315-H319-H335-H400-H410; H315-H319-H335
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A; P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 98%; 99.998% (metals basis)

DETAILS

MP Biomedicals - 05214945

MP Biomedicals Rare Chemical collection

REFERENCES

• Catalyst for 1,4-addition of Grignard reagents to enones: J. Org. Chem., 27, 707 (1962); Org. Synth. Coll., 8, 522 (1993).
• Reaction of Grignard reagents with aromatic nitriles is potentially a useful route to ketones via the imine. However, in the absence of a catalyst, reaction is generally very slow and gives indifferent yields. In the presence of CuBr, tert-butylmagnesium chloride reacts readily with benzonitrile to give tert-butyl phenyl ketone in 94% yield: J. Org. Chem., 52, 3901 (1987).
• Precursor of organocopper reagents. For reviews, see: Org. React., 22, 253 (1975); 41, 135 (1992); Synthesis, 63 (1972); Tetrahedron, 45, 349 (1989).