1-(Trifluoroacetyl)imidazole

 The IUPAC name of 1-(Trifluoroacetyl)imidazole is 2,2,2-trifluoro-1-imidazol-1-ylethanone. With the CAS registry number 1546-79-8, it is also named as N-Trifluoroacetylimidazole. The product's categories are analytical / chromatography, derivatization reagents, heterocyclic building blocks, imidazoles and so on. It is moisture sensitive and reacts with water, which should be stored in closed place at temperature of 0-6 °C. In addition, it is colorless to pink liquid. Moreover, its molecular formula is C₅H₃F₃N₂O and molecular weight is 164.09.

The other characteristics of this product can be summarized as: (1)EINECS: 216-282-5; (2)ACD/LogP: 1.18; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 1.18; (5)ACD/LogD (pH 7.4): 1.18; (6)ACD/BCF (pH 5.5): 4.67; (7)ACD/BCF (pH 7.4): 4.67; (8)ACD/KOC (pH 5.5): 104.87; (9)ACD/KOC (pH 7.4): 104.88; (10)H bond acceptors: 3; (11)H bond donors: 0; (12)Freely Rotating Bonds: 0; (13)Polar Surface Area: 34.89 Å²; (14)Index of Refraction: 1.469; (15)Molar Refractivity: 31.04 cm³; (16)Molar Volume: 111.2 cm³; (17)Polarizability: 12.3×10^-24cm³; (18)Surface Tension: 33.4 dyne/cm; (19)Density: 1.47 g/cm³; (20)Flash Point: 45 °C; (21)Enthalpy of Vaporization: 38.82 kJ/mol; (22)Boiling Point: 151.4 °C at 760 mmHg; (23)Vapour Pressure: 3.68 mmHg at 25 °C.

Uses of 1-(Trifluoroacetyl)imidazole: it can reacts with 1-Iodo-dodecane to get 1,1,1-Trifluoro-tetradecan-2-one.



This reaction needs tert-BuLi, pentane and diethyl ether at temperature of -78 °C. The reaction time is 5 min. The yield is 89 %.

When you are using this chemical, please be cautious about it as the following: 1-(Trifluoroacetyl)imidazole is flammable and may cause burns. Please keep away from sources of ignition. Besides, it is also harmful if swallowed and irritating to eyes, respiratory system and skin. When you use it please wear suitable protective clothing, gloves and eye/face protection, and in case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. Moreover, in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

People can use the following data to convert to the molecule structure.
(1)SMILES:FC(F)(F)C(=O)n1ccnc1
(2)InChI:InChI=1/C5H3F3N2O/c6-5(7,8)4(11)10-2-1-9-3-10/h1-3H
(3)InChIKey:SINBGNJPYWNUQI-UHFFFAOYAD
(4)Std. InChI:InChI=1S/C5H3F3N2O/c6-5(7,8)4(11)10-2-1-9-3-10/h1-3H
(5)Std. InChIKey:SINBGNJPYWNUQI-UHFFFAOYSA-N