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188527-56-2

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Basic Information
CAS No.: 188527-56-2
Name: PYRIDINE, 2-PHENYL-5-(TRIFLUOROMETHYL)-
Article Data: 20
Molecular Structure:
Molecular Structure of 188527-56-2 (PYRIDINE, 2-PHENYL-5-(TRIFLUOROMETHYL)-)
Formula: C12H8F3N
Molecular Weight: 223.197
Synonyms: 2-Phenyl-5-trifluoromethylpyridine;5-(Trifluoromethyl)-2-phenylpyridine;
Density: 1.23 g/cm3
Boiling Point: 266.4 °C at 760 mmHg
Flash Point: 114.9 °C
PSA: 12.89000
LogP: 3.76740
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Specification

The Pyridine, 2-phenyl-5-(trifluoromethyl)-, with the CAS registry number 188527-56-2, is also known as 5-(Trifluoromethyl)-2-phenylpyridine. This chemical's molecular formula is C12H8F3N and molecular weight is 223.20. What's more, its systematic name is 2-Phenyl-5-(trifluoromethyl)pyridine.

Physical properties about Pyridine, 2-phenyl-5-(trifluoromethyl)- are: (1)ACD/LogP: 3.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.6; (4)ACD/LogD (pH 7.4): 3.6; (5)ACD/BCF (pH 5.5): 320.36; (6)ACD/BCF (pH 7.4): 320.47; (7)ACD/KOC (pH 5.5): 2163.24; (8)ACD/KOC (pH 7.4): 2163.93; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 12.89 Å2; (13)Index of Refraction: 1.506; (14)Molar Refractivity: 53.91 cm3; (15)Molar Volume: 181.4 cm3; (16)Polarizability: 21.37×10-24 cm3; (17)Surface Tension: 32.1 dyne/cm; (18)Density: 1.23 g/cm3; (19)Flash Point: 114.9 °C; (20)Enthalpy of Vaporization: 48.4 kJ/mol; (21)Boiling Point: 266.4 °C at 760 mmHg; (22)Vapour Pressure: 0.0143 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: FC(F)(F)c2cnc(c1ccccc1)cc2
(2) InChI: InChI=1/C12H8F3N/c13-12(14,15)10-6-7-11(16-8-10)9-4-2-1-3-5-9/h1-8H
(3) InChIKey: FKACHUDGNZNGGU-UHFFFAOYAN