bromocopper; tris(triphenylphosphane)

• ChemBase ID: 139596
• Molecular Formular: C54H45BrCuP3
• Molecular Mass: 930.306383
• Monoisotopic Mass: 928.12134583
• SMILES: c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.[Cu]Br
• Canonical SMILES: c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.Br[Cu]
• InChI: InChI=1S/3C18H15P.BrH.Cu/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;/h3*1-15H;1H;/q;;;;+1/p-1
• InChIKey: QXLPGKOIQZWUPL-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: bromocopper; tris(triphenylphosphane)
• IUPAC Traditional name: copper(I) bromide; tris(triphenylphosphine)
• Synonyms: Bromotris(triphenylphosphine)copper(I); 溴三(三苯基膦)铜(I)

Database IDs

• CAS Number: 15709-74-7
• MDL Number: MFCD04118115
• PubChem SID: 24874783; 162233844
• PubChem CID: 11251615

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.1066
• LogD (pH = 7.4): 5.1066
• Log P: 5.1066
• Molar Refractivity: 81.6229 cm^3
• Polarizability: 32.34495 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 168-170 °C(lit.)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 98%
• Empirical Formula (Hill Notation): C54H45BrP3Cu

DETAILS

Sigma Aldrich - 572144

Packaging
5 g in glass bottle