1-(3-TRIFLUOROMETHYLPHENYL)IMIDAZOLE

The 1H-Imidazole,1-[3-(trifluoromethyl)phenyl]-, with the CAS registry number 25371-97-5, is also known as Imidazole, 1-(3-trifluoromethylphenyl). It belongs to the product category of Imidazol&Benzimidazole. This chemical's molecular formula is C₁₀H₇F₃N₂ and molecular weight is 212.17. What's more, its IUPAC name is 1-[3-(Trifluoromethyl)phenyl]imidazole.

Physical properties about 1H-Imidazole,1-[3-(trifluoromethyl)phenyl] are: (1)ACD/LogP: 2.55; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.34; (4)ACD/LogD (pH 7.4): 2.55; (5)ACD/BCF (pH 5.5): 31.3; (6)ACD/BCF (pH 7.4): 50.8; (7)ACD/KOC (pH 5.5): 355.89; (8)ACD/KOC (pH 7.4): 577.65; (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: 124.8 °C; (20)Enthalpy of Vaporization: 50.06 kJ/mol; (21)Boiling Point: 282.7 °C at 760 mmHg; (22)Vapour Pressure: 0.00565 mmHg at 25 °C.

Preparation of 1H-Imidazole,1-[3-(trifluoromethyl)phenyl]: this chemical can be prepared by 1H-Imidazole and 1-Iodo-3-trifluoromethyl-benzene. This reaction needs reagent Cs₂CO₃ and solvent Xylene at temperature of 110 °C. The reaction time is 24 hours. The yield is 94 %.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. In case of contacting with eyes, you should 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)c1cccc(c1)n2ccnc2
(2) InChI: InChI=1/C10H7F3N2/c11-10(12,13)8-2-1-3-9(6-8)15-5-4-14-7-15/h1-7H
(3) InChIKey: KZVUPVJLOACZIL-UHFFFAOYAJ