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CAS No.: | 383-29-9 |
---|---|
Name: | 4-Fluorophenyl sulfone |
Article Data: | 30 |
Molecular Structure: | |
Formula: | C12H8F2O2S |
Molecular Weight: | 254.257 |
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; |
EINECS: | 206-847-4 |
Density: | 1.365 g/cm3 |
Melting Point: | 98-100 °C(lit.) |
Boiling Point: | 367.9 °C at 760 mmHg |
Flash Point: | 176.3 °C |
Solubility: | insoluble in water |
Appearance: | White crystal |
Hazard Symbols: | Xi |
Safety: | 22-24/25 |
PSA: | 42.52000 |
LogP: | 3.87840 |
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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