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CAS No.: | 220000-88-4 |
---|---|
Name: | 4-(4-TRIFLUOROMETHYLPHENYL)PYRIDINE |
Article Data: | 13 |
Molecular Structure: | |
Formula: | C12H8F3N |
Molecular Weight: | 223.197 |
Synonyms: | 4-(4-Trifluoromethylphenyl)pyridine; |
Density: | 1.23 g/cm3 |
Boiling Point: | 263.3 °C at 760 mmHg |
Flash Point: | 113 °C |
PSA: | 12.89000 |
LogP: | 3.76740 |
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The Pyridine, 4-[4-(trifluoromethyl)phenyl]- has CAS registry number 220000-88-4. This chemical's molecular formula is C12H8F3N and molecular weight is 223.19. What's more, its systematic name is 4-[4-(Trifluoromethyl)phenyl]pyridine.
Physical properties about Pyridine, 4-[4-(trifluoromethyl)phenyl]- are: (1)ACD/LogP: 3.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.47; (4)ACD/LogD (pH 7.4): 3.56; (5)ACD/BCF (pH 5.5): 240.28; (6)ACD/BCF (pH 7.4): 297.89; (7)ACD/KOC (pH 5.5): 1655.08; (8)ACD/KOC (pH 7.4): 2051.89; (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: 113 °C; (20)Enthalpy of Vaporization: 48.09 kJ/mol; (21)Boiling Point: 263.3 °C at 760 mmHg; (22)Vapour Pressure: 0.0169 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: FC(F)(F)c2ccc(c1ccncc1)cc2
(2) InChI: InChI=1/C12H8F3N/c13-12(14,15)11-3-1-9(2-4-11)10-5-7-16-8-6-10/h1-8H
(3) InChIKey: XKLRYMRLOBCRPN-UHFFFAOYAY