2-Methyl-4-trifluoromethylimidazole supplier

Name
2-Methyl-4-trifluoromethylimidazole
EINECS
CAS No. 33468-67-6
Article Data13
CAS DataBase
Density 1.355 g/cm³
Solubility
Melting Point 179-180 °C
Formula C₅H₅F₃N₂
Boiling Point 249.445 °C at 760 mmHg
Molecular Weight 150.103
Flash Point 104.661 °C
Transport Information
Appearance
Safety 45
Risk Codes 25
Molecular Structure
Hazard Symbols T
Synonyms Imidazole, 2-methyl-4-(trifluoromethyl)-(8CI);2-Methyl-4(5)-trifluoromethylimidazole;2-Methyl-5-(trifluoromethyl)-1H-imidazole;
PSA 28.68000
LogP 1.73690

2-Methyl-4-trifluoromethylimidazole Specification

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.

Product Name

2-Methyl-4-trifluoromethylimidazole

2-Methyl-4-trifluoromethylimidazole Specification

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