1-(4-TRIFLUOROMETHYLPHENYL)IMIDAZOLE

This chemical is called 1H-Imidazole, 1-[4-(trifluoromethyl)phenyl]-, and its systematic name is 1-[4-(trifluoromethyl)phenyl]-1H-imidazole. With the molecular formula of C₁₀H₇F₃N₂, its molecular weight is 212.17. The CAS registry number of this chemical is 25371-98-6. Additionally, its product categories are Imidazol & Benzimidazole.

Other characteristics of the 1H-Imidazole, 1-[4-(trifluoromethyl)phenyl]- can be summarised as followings: (1)ACD/LogP: 2.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.42; (4)ACD/LogD (pH 7.4): 2.55; (5)ACD/BCF (pH 5.5): 37.59; (6)ACD/BCF (pH 7.4): 50.97; (7)ACD/KOC (pH 5.5): 427.52; (8)ACD/KOC (pH 7.4): 579.64; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.82 Å²; (13)Index of Refraction: 1.522; (14)Molar Refractivity: 50.68 cm³; (15)Molar Volume: 166.1 cm³; (16)Polarizability: 20.09×10^-24cm³; (17)Surface Tension: 33.6 dyne/cm; (18)Density: 1.27 g/cm³; (19)Flash Point: 119.6 °C; (20)Enthalpy of Vaporization: 49.2 kJ/mol; (21)Boiling Point: 274.2 °C at 760 mmHg; (22)Vapour Pressure: 0.00918 mmHg at 25°C.

Production method of this chemical: The 1H-Imidazole, 1-[4-(trifluoromethyl)phenyl]- could be obtained by the reactants of 1H-imidazole and p-Trifluoromethylphenylboronic acid. This reaction needs the reagent of Cu(OAc)2, 4 Angstroem molecular sieves, pyridine, air, and the solvent of CH₂Cl₂. The yield is 71 %. In addition, this reaction should be taken for 2 days at the ambient temperature.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1.SMILES: FC(F)(F)c1ccc(cc1)n2ccnc2
2.InChI: InChI=1/C10H7F3N2/c11-10(12,13)8-1-3-9(4-2-8)15-6-5-14-7-15/h1-7H
3.InChIKey: FUJKJTAYTFLIDA-UHFFFAOYAV