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4-Fluorophenyl sulfone

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Name

4-Fluorophenyl sulfone

EINECS 206-847-4
CAS No. 383-29-9 Density 1.365 g/cm3
PSA 42.52000 LogP 3.87840
Solubility insoluble in water Melting Point 98-100 °C(lit.)
Formula C12H8F2O2S Boiling Point 367.9 °C at 760 mmHg
Molecular Weight 254.257 Flash Point 176.3 °C
Transport Information N/A Appearance White crystal
Safety 22-24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 383-29-9 (4-Fluorophenyl sulfone) Hazard Symbols IrritantXi
Synonyms

Sulfone,bis(p-fluorophenyl) (6CI,7CI,8CI);4,4'-Difluorodiphenyl sulfone;4-Fluorophenylsulfone;Bis(4-fluorophenyl)sulfone;Bis(p-fluorophenyl) sulfone;D 0537;NSC 683542;NSC 87584;

Article Data 30

4-Fluorophenyl sulfone Specification

The Benzene,1,1'-sulfonylbis[4-fluoro-, with CAS registry number 383-29-9, belongs to the following product categories: (1)Diphenyl Sulfones (for High-Performance Polymer Research); (2)Functional Materials; (3)Reagent for High-Performance Polymer Research. It has the systematic name of 1,1'-sulfonylbis(4-fluorobenzene). This chemical is a kind of white to brown crystals or powder. When use this chemical, do not breathe dust and avoid contact with skin and eyes. And the main use of this chemical is for organic reagent.

Physical properties of Benzene,1,1'-sulfonylbis[4-fluoro-: (1)ACD/LogP: 3.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.4; (4)ACD/LogD (pH 7.4): 3.4; (5)ACD/BCF (pH 5.5): 227.55; (6)ACD/BCF (pH 7.4): 227.55; (7)ACD/KOC (pH 5.5): 1693.59; (8)ACD/KOC (pH 7.4): 1693.59; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 42.52 Å2; (13)Index of Refraction: 1.563; (14)Molar Refractivity: 60.5 cm3; (15)Molar Volume: 186.2 cm3; (16)Polarizability: 23.98×10-24cm3; (17)Surface Tension: 41.2 dyne/cm; (18)Enthalpy of Vaporization: 59.04 kJ/mol; (19)Vapour Pressure: 2.79E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1ccc(F)cc1)c2ccc(F)cc2
(2)InChI: InChI=1/C12H8F2O2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H
(3)InChIKey: PLVUIVUKKJTSDM-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C12H8F2O2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H
(5)Std. InChIKey: PLVUIVUKKJTSDM-UHFFFAOYSA-N

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