(2,4,6-trimethylphenyl)copper

• ChemBase ID: 136681
• Molecular Formular: C9H11Cu
• Molecular Mass: 182.72964
• Monoisotopic Mass: 182.01567285
• SMILES: Cc1cc(c(c(c1)C)[Cu])C
• Canonical SMILES: Cc1cc(C)c(c(c1)C)[Cu]
• InChI: InChI=1S/C9H11.Cu/c1-7-4-8(2)6-9(3)5-7;/h4-5H,1-3H3
• InChIKey: BBUKMFLZOHNUQU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,4,6-trimethylphenyl)copper
• IUPAC Traditional name: (2,4,6-trimethylphenyl)copper
• Synonyms: Mesitylcopper(I)

Database IDs

• CAS Number: 75732-01-3
• MDL Number: MFCD00015622
• PubChem SID: 162230951
• PubChem CID: 12639866

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.1598
• LogD (pH = 7.4): 3.1598
• Log P: 3.1598
• Molar Refractivity: 40.5979 cm^3
• Polarizability: 18.447893 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 184-191 °C

Safety Information

• Storage Temperature: 2-8°C

Product Information

• Empirical Formula (Hill Notation): C9H11Cu

DETAILS

Sigma Aldrich - 736627

包装
1, 5 g in glass bottle