1-(TRIFLUOROMETHANESULFONYL)IMIDAZOLE

The 1H-Imidazole,1-[(trifluoromethyl)sulfonyl]-, with the CAS registry number 29540-81-6, is also known as 1-[(Trifluoromethyl)sulphonyl]-1H-imidazole 97%. It belongs to the product category of Imidazol & Benzimidazole. Its EINECS registry number is 249-686-5. This chemical's molecular formula is C₄H₃F₃N₂O₂S and molecular weight is 200.13903. Its IUPAC name is called 1-(trifluoromethylsulfonyl)imidazole.

Physical properties of 1H-Imidazole,1-[(trifluoromethyl)sulfonyl]-: (1)ACD/LogP: 0.71; (2)ACD/LogD (pH 5.5): 0.71; (3)ACD/LogD (pH 7.4): 0.71; (4)ACD/BCF (pH 5.5): 2.03; (5)ACD/BCF (pH 7.4): 2.03; (6)ACD/KOC (pH 5.5): 57.79; (7)ACD/KOC (pH 7.4): 57.79; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.509; (11)Molar Refractivity: 35.33 cm³; (12)Molar Volume: 118.2 cm³; (13)Surface Tension: 43.8 dyne/cm; (14)Density: 1.69 g/cm³; (15)Flash Point: 92.7 °C; (16)Enthalpy of Vaporization: 46.64 kJ/mol; (17)Boiling Point: 229.7 °C at 760 mmHg; (18)Vapour Pressure: 0.0684 mmHg at 25°C.

Uses of 1H-Imidazole,1-[(trifluoromethyl)sulfonyl]-: it can be used to produce 3,6-Anhydro-4-O-trifluormethylsulfonyl-D-glucal. This reaction will need reagent NaH and solvent hexamethylphosphoric acid triamide, tetrahydrofuran. The yield is about 57.7%.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health and may cause inflammation to the skin or other mucous membranes. It is harmful by inhalation, in contact with skin and if swallowed. In addition, it is irritating to eyes and respiratory system.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CN(C=N1)S(=O)(=O)C(F)(F)F
(2)InChI: InChI=1S/C4H3F3N2O2S/c5-4(6,7)12(10,11)9-2-1-8-3-9/h1-3H
(3)InChIKey: YGABUCCNCBMODG-UHFFFAOYSA-N