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| CAS No.: | 424792-57-4 |
|---|---|
| Name: | 1,2-DIFLUORO-4-(METHYLSULFONYL)BENZENE |
| Molecular Structure: | |
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| Formula: | C7H6F2O2S |
| Molecular Weight: | 192.186 |
| Synonyms: | 1,2-Difluoro-4-(methanesulfonyl)benzene;1,2-Difluoro-4-methylsulfonylbenzene;3,4-Difluorophenyl methyl sulfone; |
| Density: | 1.376 g/cm3 |
| Melting Point: | 71 °C |
| Boiling Point: | 302.4 °C at 760 mmHg |
| Flash Point: | 136.7 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | R36/37/38 |
| PSA: | 42.52000 |
| LogP: | 2.44910 |
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Specification
The 1,2-Difluoro-4-(methylsulphonyl)benzene, with the CAS registry number 424792-57-4, is also known as Benzene, 1,2-difluoro-4-(methylsulfonyl)-. It belongs to the product categories of Blocks; BuildingBlocks; FluoroCompounds. This chemical's molecular formula is C7H6F2O2S and formula weight is 192.18. What's more, its systematic name is called 1,2-difluoro-4-(methylsulfonyl)benzene.
Physical properties of 1,2-Difluoro-4-(methylsulphonyl)benzene: (1)ACD/LogP: 1.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.14; (4)ACD/LogD (pH 7.4): 1.14; (5)ACD/BCF (pH 5.5): 4.36; (6)ACD/BCF (pH 7.4): 4.36; (7)ACD/KOC (pH 5.5): 99.9; (8)ACD/KOC (pH 7.4): 99.9; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.49; (13)Molar Refractivity: 40.42 cm3; (14)Molar Volume: 139.6 cm3; (15)Surface Tension: 34.3 dyne/cm; (16)Density: 1.376 g/cm3; (17)Melting Point: 71°C; (18)Flash Point: 136.7 °C; (19)Enthalpy of Vaporization: 52.09 kJ/mol; (20)Boiling Point: 302.4 °C at 760 mmHg; (21)Vapour Pressure: 0.00178 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(cc1F)S(=O)(=O)C
(2)InChI: InChI=1/C7H6F2O2S/c1-12(10,11)5-2-3-6(8)7(9)4-5/h2-4H,1H3
(3)InChIKey: WMBJGJXMKCOHGG-UHFFFAOYAK