5-methyl-2-(2,4,6-trimethylphenyl)-2λ5,4-imidazo[1,5-a]pyridin-2-ylium chloride

• ChemBase ID: 141360
• Molecular Formular: C17H19ClN2
• Molecular Mass: 286.79916
• Monoisotopic Mass: 286.1236763
• SMILES: Cc1cccc2n1c[n+](c2)c1c(cc(cc1C)C)C.[Cl-]
• Canonical SMILES: Cc1cc(C)c(c(c1)C)[n+]1cc2n(c1)c(C)ccc2.[Cl-]
• InChI: InChI=1S/C17H19N2.ClH/c1-12-8-13(2)17(14(3)9-12)18-10-16-7-5-6-15(4)19(16)11-18;/h5-11H,1-4H3;1H/q+1;/p-1
• InChIKey: DJFXURXZOPNPGY-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methyl-2-(2,4,6-trimethylphenyl)-2λ^5,4-imidazo[1,5-a]pyridin-2-ylium chloride
• IUPAC Traditional name: 5-methyl-2-(2,4,6-trimethylphenyl)-2λ^5,4-imidazo[1,5-a]pyridin-2-ylium chloride
• Synonyms: 2-(2,4,6-Trimethylphenyl)-5-methylimidazo[1,5-a]pyridinim chloride; 2-Mesityl-5-methylimidazo[1,5-a]pyridinium chloride; 2-(2,4,6-三甲苯基)-5-甲基咪唑[1,5-a]吡啶鎓氯化物; 2-均三甲苯基-5-甲基咪唑[1,5-a]吡啶鎓氯化物

Database IDs

• CAS Number: 1034449-18-7
• PubChem SID: 24885686; 162235594
• PubChem CID: 16218372

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.6426014
• LogD (pH = 7.4): 1.6426014
• Log P: 1.6426014
• Molar Refractivity: 91.6501 cm^3
• Polarizability: 31.610178 Å^3
• Polar Surface Area: 8.29 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: >300 °C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C17H19ClN2

DETAILS

Sigma Aldrich - 682209

Application
Stable N-heterocyclic carbene precursor.2
Reactant for gold cycloisomerization catalytic reactions1
Packaging
1 g in glass bottle
250 mg in glass bottle