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1-Trityl-1H-imidazole-2-carbaldehyde

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Name

1-Trityl-1H-imidazole-2-carbaldehyde

EINECS 604-604-1
CAS No. 67478-50-6 Density 1.1 g/cm3
PSA 34.89000 LogP 4.53580
Solubility N/A Melting Point 190-193 ºC
Formula C23H18N2O Boiling Point 547 °C at 760 mmHg
Molecular Weight 338.409 Flash Point 284.6 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 67478-50-6 (1-TRITYLIMIDAZOLE-2-CARBOXALDEHYDE) Hazard Symbols IrritantXi
Synonyms

1-Triphenylmethyl-2-imidazolecarboxaldehyde;1-Trityl-1H-imidazole-2-carboxaldehyde;2-Formyl-1-tritylimidazole;1H-Imidazole-2-carboxaldehyde,1-(triphenylmethyl)-;2-Imidazolic aldehyde, 1-triphenylmethyl-;

Article Data 17

1-Trityl-1H-imidazole-2-carbaldehyde Specification

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

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