1-Trityl-1H-imidazole-4-carboxylic acid supplier

Name
1-Trityl-1H-imidazole-4-carboxylic acid
EINECS
CAS No. 191103-80-7
Article Data12
CAS DataBase
Density 1.165 g/cm³
Solubility
Melting Point
Formula C₂₃H₁₈N₂O₂
Boiling Point 546.287 °C at 760 mmHg
Molecular Weight 354.408
Flash Point 284.184 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Triphenylmethylimidazole-4-carboxylicacid;1-Trityl-1H-imidazole-4-carboxylic acid;1H-Imidazole-4-carboxylicacid, 1-(triphenylmethyl)-;
PSA 55.12000
LogP 4.42150

1-Trityl-1H-imidazole-4-carboxylic acid Specification

The 1-Trityl-imidazole-3-carboxylic aicd, with the CAS registry number 191103-80-7, is also known as 1H-Imidazole-4-carboxylicacid, 1-(triphenylmethyl)-. It belongs to the product categories of Blocks; Carboxes; Imidazoles. This chemical's molecular formula is C₂₃H₁₈N₂O₂ and molecular weight is 354.4012. What's more, its systematic name is 1-Trityl-1H-imidazole-4-carboxylic acid.

Physical properties about 1-Trityl-imidazole-3-carboxylic aicd are: (1)ACD/LogP: 4.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 24; (6)ACD/BCF (pH 7.4): 2; (7)ACD/KOC (pH 5.5): 103; (8)ACD/KOC (pH 7.4): 10; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 55.12 Å²; (13)Index of Refraction: 1.626; (14)Molar Refractivity: 107.598 cm³; (15)Molar Volume: 304.082 cm³; (16)Polarizability: 42.655×10^-24 cm³; (17)Surface Tension: 48.701 dyne/cm; (18)Density: 1.165 g/cm³; (19)Flash Point: 284.184 °C; (20)Enthalpy of Vaporization: 86.857 kJ/mol; (21)Boiling Point: 546.287 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c1ncn(c1)C(c2ccccc2)(c3ccccc3)c4ccccc4
(2) InChI: InChI=1/C23H18N2O2/c26-22(27)21-16-25(17-24-21)23(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-17H,(H,26,27)
(3) InChIKey: UQQHMXJCLHSYRV-UHFFFAOYAI

Product Name

1-Trityl-1H-imidazole-4-carboxylic acid

1-Trityl-1H-imidazole-4-carboxylic acid Specification

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