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20857-46-9

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Basic Information
CAS No.: 20857-46-9
Name: 3,4-BIS(TRIFLUOROMETHYL)PYRIDINE
Molecular Structure:
Molecular Structure of 20857-46-9 (3,4-BIS(TRIFLUOROMETHYL)PYRIDINE)
Formula: C7H3F6N
Molecular Weight: 215.098
Synonyms: 3,4-Bis(trifluoromethyl)pyridine;
Density: 1.437 g/cm3
Boiling Point: 157.2 °C at 760 mmHg
Flash Point: 48.9 °C
Hazard Symbols: IrritantXi
PSA: 12.89000
LogP: 3.11920
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Specification

The Pyridine, 3, 4-bis(trifluoromethyl)- has CAS registry number 20857-46-9. This chemical's molecular formula is C7H3F6N and molecular weight is 215.10. What's more, its IUPAC name is 3, 4-Bis(trifluoromethyl)pyridine. In addition, this chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about Pyridine, 3, 4-bis(trifluoromethyl)- are: (1)ACD/LogP: 2.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.67; (4)ACD/LogD (pH 7.4): 2.67; (5)ACD/BCF (pH 5.5): 62.93; (6)ACD/BCF (pH 7.4): 62.93; (7)ACD/KOC (pH 5.5): 674.86; (8)ACD/KOC (pH 7.4): 674.87; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.89 Å2; (13)Index of Refraction: 1.375; (14)Molar Refractivity: 34.3 cm3; (15)Molar Volume: 149.6 cm3; (16)Polarizability: 13.59×10-24 cm3; (17)Surface Tension: 19.8 dyne/cm; (18)Density: 1.437 g/cm3; (19)Flash Point: 48.9 °C; (20)Enthalpy of Vaporization: 37.77 kJ/mol; (21)Boiling Point: 157.2 °C at 760 mmHg; (22)Vapour Pressure: 3.6 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: FC(F)(F)c1cnccc1C(F)(F)F
(2) InChI: InChI=1/C7H3F6N/c8-6(9,10)4-1-2-14-3-5(4)7(11,12)13/h1-3H
(3) InChIKey: SVYGFFYEEPFDOC-UHFFFAOYAJ