1-(triphenylmethyl)-1H-imidazole-4-carbaldehyde

• ChemBase ID: 64131
• Molecular Formular: C23H18N2O
• Molecular Mass: 338.40182
• Monoisotopic Mass: 338.14191321
• SMILES: n1(C(c2ccccc2)(c2ccccc2)c2ccccc2)cnc(c1)C=O
• Canonical SMILES: O=Cc1ncn(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C23H18N2O/c26-17-22-16-25(18-24-22)23(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-18H
• InChIKey: YQYLLBSWWRWWAY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(triphenylmethyl)-1H-imidazole-4-carbaldehyde
• IUPAC Traditional name: 1-(triphenylmethyl)imidazole-4-carbaldehyde
• Synonyms: 1-(Triphenylmethyl)imidazole-4-carboxaldehyde; 1-Trityl-4-formylimidazole; 1-Tritylimidazole-4-carboxaldehyde; 4-Formyl-1-trityl-1H-imidazole; 1-Trityl-1H-imidazole-4-carboxaldehyde 98%; 1-Trityl-1H-imidazole-4-carboxaldehyde; 1-tritylimidazole-4-carboxaldehyde; 1-Trityl-1H-imidazole-4-carbaldehyde; 1-三甲苯咪唑-4-甲醛

Database IDs

• CAS Number: 33016-47-6
• MDL Number: MFCD02179554
• PubChem SID: 162029870
• PubChem CID: 618233

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.5679407
• LogD (pH = 7.4): 5.6217127
• Log P: 5.6224523
• Molar Refractivity: 105.1585 cm^3
• Polarizability: 39.62391 Å^3
• Polar Surface Area: 34.89 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 187-189°C; ca 192°C dec.

Safety Information

• Storage Warning: IRRITANT; Irritant/Air Sensitive/Store under Argon
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 98%