{1,3-bis[2,6-bis(propan-2-yl)phenyl]-2,3-dihydro-1H-imidazol-2-ylidene}(chloro)silver

• ChemBase ID: 144263
• Molecular Formular: C27H36AgClN2
• Molecular Mass: 531.90934
• Monoisotopic Mass: 530.16179884
• SMILES: CC(C)c1cccc(c1n1ccn(/c/1=[Ag]/Cl)c1c(cccc1C(C)C)C(C)C)C(C)C
• Canonical SMILES: CC(c1cccc(c1n1ccn(/c/1=[Ag]\Cl)c1c(cccc1C(C)C)C(C)C)C(C)C)C
• InChI: InChI=1S/C27H36N2.Ag.ClH/c1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;;/h9-16,18-21H,1-8H3;;1H/q;+1;/p-1
• InChIKey: GNVDTUAJUVJOFQ-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: {1,3-bis[2,6-bis(propan-2-yl)phenyl]-2,3-dihydro-1H-imidazol-2-ylidene}(chloro)silver
• IUPAC Traditional name: [1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene](chloro)silver
• Synonyms: [1,3-Bis(2,6-diisopropylphenyl)imidazol-2-ylidene]silver(I) chloride; Chloro[1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene]silver(I)

Database IDs

• CAS Number: 873297-19-9
• MDL Number: MFCD15072152

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 9.976733
• LogD (pH = 7.4): 9.976799
• Log P: 9.9768
• Molar Refractivity: 133.3876 cm^3
• Polarizability: 54.582504 Å^3
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 265-270 °C

Safety Information

• German water hazard class: 3

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C27H36AgClN2

DETAILS

Sigma Aldrich - 732443

Packaging
1 g in glass bottle