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33468-85-8

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Basic Information
CAS No.: 33468-85-8
Name: 2-(2-Pyridyl)-4-trifluoromethylimidazole
Article Data: 7
Molecular Structure:
Molecular Structure of 33468-85-8 (2-(2-Pyridyl)-4-trifluoromethylimidazole)
Formula: C9H6F3N3
Molecular Weight: 213.162
Synonyms: Pyridine,2-[4-(trifluoromethyl)-1H-imidazol-2-yl]- (9CI);Pyridine,2-[4-(trifluoromethyl)imidazol-2-yl]- (8CI);2-(2-Pyridyl)-4(5)-trifluoromethylimidazole;
Density: 1.393 g/cm3
Melting Point: 160-161 °C
Boiling Point: 369.3 °C at 760 mmHg
Flash Point: 177.2 °C
PSA: 41.57000
LogP: 2.49050
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Specification

The 2-(2-Pyridyl)-4-trifluoromethylimidazole, with the CAS registry number 33468-85-8, is also known as Pyridine, 2-[4-(trifluoromethyl)-1H-imidazol-2-yl]-. It belongs to the product category of Heterocycle. This chemical's molecular formula is C9H6F3N3 and formula weight is 213.16. What's more, its systematic name is called 2-[4-(trifluoromethyl)-1H-imidazol-2-yl]pyridine.

Physical properties about 2-(2-Pyridyl)-4-trifluoromethylimidazole are: (1)ACD/LogP: 0.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.96; (4)ACD/LogD (pH 7.4): 0.96; (5)#H bond acceptors: 3; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 41.57 Å2; (9)Index of Refraction: 1.519; (10)Molar Refractivity: 46.44 cm3; (11)Molar Volume: 152.9 cm3; (12)Surface Tension: 40.4 dyne/cm; (13)Density: 1.393 g/cm3; (14)Flash Point: 177.2 °C; (15)Melting Point: 160-161 °C; (16)Enthalpy of Vaporization: 59.19 kJ/mol; (17)Boiling Point: 369.3 °C at 760 mmHg; (18)Vapour Pressure: 2.54E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1ccnc(c1)c2[nH]cc(n2)C(F)(F)F
(2)InChI: InChI=1/C9H6F3N3/c10-9(11,12)7-5-14-8(15-7)6-3-1-2-4-13-6/h1-5H,(H,14,15)
(3)InChIKey: ACCRSQMCIQOKCB-UHFFFAOYAZ