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23449-67-4

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Basic Information
CAS No.: 23449-67-4
Name: 2,3,5,6-TETRAFLUORO-4-(PHENYLSULPHONYL)PYRIDINE
Article Data: 3
Molecular Structure:
Molecular Structure of 23449-67-4 (2,3,5,6-TETRAFLUORO-4-(PHENYLSULPHONYL)PYRIDINE)
Formula: C11H5F4NO2S
Molecular Weight: 291.226
Synonyms: 4-(Phenylsulfonyl)tetrafluoropyridine;
Density: 1.301 g/cm3
Melting Point: 148-149 °C
Boiling Point: 395.4 °C at 760 mmHg
Flash Point: 193 °C
Hazard Symbols: IrritantXi
PSA: 55.41000
LogP: 3.55160
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Specification

The Pyridine, 2, 3, 5, 6-tetrafluoro-4-(phenylsulfonyl)-, with the CAS registry number 23449-67-4, is also known as 4-(Phenylsulfonyl)tetrafluoropyridine. This chemical's molecular formula is C11H5F4NO2S and molecular weight is 291.22. What's more, its systematic name is 2, 3, 5, 6-Tetrafluoro-4-(phenylsulfonyl)pyridine. In addition, this chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about Pyridine, 2, 3, 5, 6-tetrafluoro-4-(phenylsulfonyl)- are: (1)ACD/LogP: 1.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.5; (4)ACD/LogD (pH 7.4): 1.5; (5)ACD/BCF (pH 5.5): 8.14; (6)ACD/BCF (pH 7.4): 8.14; (7)ACD/KOC (pH 5.5): 156.18; (8)ACD/KOC (pH 7.4): 156.18; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 55.41 Å2; (13)Index of Refraction: 1.535; (14)Molar Refractivity: 58.52 cm3; (15)Molar Volume: 187.8 cm3; (16)Polarizability: 23.2×10-24 cm3; (17)Surface Tension: 43.3 dyne/cm; (18)Density: 1.55 g/cm3; (19)Flash Point: 193 °C; (20)Enthalpy of Vaporization: 62.04 kJ/mol; (21)Boiling Point: 395.4 °C at 760 mmHg; (22)Vapour Pressure: 4.19E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Fc1c(c(F)c(F)nc1F)S(=O)(=O)c2ccccc2
(2) InChI: InChI=1/C11H5F4NO2S/c12-7-9(8(13)11(15)16-10(7)14)19(17,18)6-4-2-1-3-5-6/h1-5H
(3) InChIKey: HZNNNQUIKJUUOW-UHFFFAOYAJ