1-TRITYLIMIDAZOLE-2-CARBOXALDEHYDE

The 1-Trityl-1H-imidazole-2-carbaldehyde, with the CAS registry number 67478-50-6, is also known as 1-Triphenylmethyl-2-imidazolecarboxaldehyde. It belongs to the product categories of Aldehydes; Imidazoles; Imidazoles & Benzimidazoles; Imidazoles & Benzimidazoles. This chemical's molecular formula is C₂₃H₁₈N₂O and formula weight is 338.402. What's more, its IUPAC name is 1-tritylimidazole-2-carbaldehyde.

Physical properties of 1-Trityl-1H-imidazole-2-carbaldehyde are: (1)ACD/LogP: 5.17; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.16; (4)ACD/LogD (pH 7.4): 5.17; (5)ACD/BCF (pH 5.5): 4926.98; (6)ACD/BCF (pH 7.4): 4976.4; (7)ACD/KOC (pH 5.5): 15257.89; (8)ACD/KOC (pH 7.4): 15410.94; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 34.89 Å²; (13)Index of Refraction: 1.612; (14)Molar Refractivity: 106.74 cm³; (15)Molar Volume: 306.8 cm³; (16)Surface Tension: 45.6 dyne/cm; (17)Density: 1.1 g/cm³; (18)Flash Point: 284.6 °C; (19)Enthalpy of Vaporization: 82.62 kJ/mol; (20)Boiling Point: 547 °C at 760 mmHg; (21)Vapour Pressure: 5.09E-12 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N4C=CN=C4C=O
(2)InChI: InChI=1S/C23H18N2O/c26-18-22-24-16-17-25(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
(3)InChIKey: QYVILFCVZUELEG-UHFFFAOYSA-N