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CAS No.: | 33468-67-6 |
---|---|
Name: | 2-Methyl-4-trifluoromethylimidazole |
Article Data: | 13 |
Molecular Structure: | |
Formula: | C5H5F3N2 |
Molecular Weight: | 150.103 |
Synonyms: | Imidazole, 2-methyl-4-(trifluoromethyl)-(8CI);2-Methyl-4(5)-trifluoromethylimidazole;2-Methyl-5-(trifluoromethyl)-1H-imidazole; |
Density: | 1.355 g/cm3 |
Melting Point: | 179-180 °C |
Boiling Point: | 249.445 °C at 760 mmHg |
Flash Point: | 104.661 °C |
Hazard Symbols: | T |
Risk Codes: | 25 |
Safety: | 45 |
PSA: | 28.68000 |
LogP: | 1.73690 |
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The 2-Methyl-4-trifluoromethylimidazole is a kind of Heterocycle with the formula C5H5F3N2. The systematic name of this product is 2-methyl-5-(trifluoromethyl)-1H-imidazole. With the CAS registry number 33468-67-6, it is also named as 1H-imidazole, 2-methyl-4-(trifluoromethyl)-. The price of this product changes with the market. It can be used as pharmaceutical intermediates.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 0.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.15; (4)ACD/LogD (pH 7.4): 0.2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 27.08; (8)ACD/KOC (pH 7.4): 30.61; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.429; (13)Molar Refractivity: 28.58 cm3; (14)Molar Volume: 110.7 cm3; (15)Polarizability: 11.33×10-24 cm3; (16)Surface Tension: 28.4 dyne/cm; (17)Enthalpy of Vaporization: 46.7 kJ/mol; (18)Vapour Pressure: 0.0362 mmHg at 25°C.
People can use the following data to convert to the molecule structure.
1.SMILES: FC(F)(F)c1cnc(n1)C;
2.InChI: InChI=1/C5H5F3N2/c1-3-9-2-4(10-3)5(6,7)8/h2H,1H3,(H,9,10);
3.InChIKey: UTUSYSDVLOWRJA-UHFFFAOYAD.