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| CAS No.: | 236739-03-0 |
|---|---|
| Name: | 1,4-Difluoro-2-(methylsulfonyl)benzene |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C7H6F2O2S |
| Molecular Weight: | 192.186 |
| Synonyms: | 2,5-Difluorophenylmethyl sulfone; |
| EINECS: | 927-269-5 |
| Density: | 1.376 g/cm3 |
| Boiling Point: | 307.8 °C at 760 mmHg |
| Flash Point: | 139.9 °C |
| Appearance: | White to light yellow solid |
| PSA: | 42.52000 |
| LogP: | 2.44910 |
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Specification
The cas register number of 1,4-Difluoro-2-(methylsulfonyl)benzene is 236739-03-0. It also can be called as Benzene,1,4-difluoro-2-(methylsulfonyl)- and the Systematic name about this chemical is 1,4-difluoro-2-(methylsulfonyl)benzene.
Physical properties about 1,4-Difluoro-2-(methylsulfonyl)benzene are: (1)ACD/LogP: 0.80; (2)ACD/LogD (pH 5.5): 0.8; (3)ACD/LogD (pH 7.4): 0.8; (4)ACD/BCF (pH 5.5): 2.38; (5)ACD/BCF (pH 7.4): 2.38; (6)ACD/KOC (pH 5.5): 64.82; (7)ACD/KOC (pH 7.4): 64.82; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 42.52Å2; (11)Index of Refraction: 1.49; (12)Molar Refractivity: 40.42 cm3; (13)Molar Volume: 139.6 cm3; (14)Polarizability: 16.02x10-24cm3; (15)Surface Tension: 34.3 dyne/cm; (16)Enthalpy of Vaporization: 52.65 kJ/mol; (17)Boiling Point: 307.8 °C at 760 mmHg; (18)Vapour Pressure: 0.00129 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1cc(F)ccc1F)C
(2)InChI: InChI=1/C7H6F2O2S/c1-12(10,11)7-4-5(8)2-3-6(7)9/h2-4H,1H3
(3)InChIKey: PDBSFQYRKCUYMB-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C7H6F2O2S/c1-12(10,11)7-4-5(8)2-3-6(7)9/h2-4H,1H3
(5)Std. InChIKey: PDBSFQYRKCUYMB-UHFFFAOYSA-N