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Name |
Ethanone,2-(methylsulfonyl)-1-(2-pyridinyl)- |
EINECS | N/A |
CAS No. | 27302-93-8 | Density | 1.313 g/cm3 |
PSA | 72.48000 | LogP | 1.38970 |
Solubility | N/A | Melting Point |
105-107 °C |
Formula | C8H9NO3S | Boiling Point | 425 °C at 760 mmHg |
Molecular Weight | 199.23 | Flash Point | 210.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Ketone,(methylsulfonyl)methyl 2-pyridyl (8CI);2-([Methylsulfonyl]acetyl)pyridine;Oxisuran sulfone;2-(Methylsulfonyl)-1-(pyridin-2-yl)ethanone;2-(2-Methylsulphonylacetyl)pyridine; |
Article Data | 4 |
The Ethanone,2-(methylsulfonyl)-1-(2-pyridinyl)-, with the CAS registry number 27302-93-8, is also known as 2-(2-Methylsulphonylacetyl)pyridine. It belongs to the product category of Pyridine. This chemical's molecular formula is C8H9NO3S and molecular weight is 199.23. What's more, its systematic name is 2-(methylsulfonyl)-1-pyridin-2-ylethanone.
Physical properties of Ethanone,2-(methylsulfonyl)-1-(2-pyridinyl)- are: (1)ACD/LogP: -0.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.53; (4)ACD/LogD (pH 7.4): -0.53; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 12.24; (8)ACD/KOC (pH 7.4): 12.24; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 72.48 Å2; (13)Index of Refraction: 1.536; (14)Molar Refractivity: 47.37 cm3; (15)Molar Volume: 151.7 cm3; (16)Polarizability: 18.78×10-24cm3; (17)Surface Tension: 53 dyne/cm; (18)Density: 1.313 g/cm3; (19)Flash Point: 210.8 °C; (20)Enthalpy of Vaporization: 67.96 kJ/mol; (21)Boiling Point: 425 °C at 760 mmHg; (22)Vapour Pressure: 1.98E-07 mmHg at 25°C.
Preparation of Ethanone,2-(methylsulfonyl)-1-(2-pyridinyl)-: this chemical can be prepared by dimethyl-(1-pyridin-2-yl-vinyl)-amine and methanesulfonyl chloride at the room temperature. This reaction will need reagent triethylamine and solvent CH2Cl2 with the reaction time of 2 hours. The yield is about 82%.
Uses of Ethanone,2-(methylsulfonyl)-1-(2-pyridinyl)-: it can be used to produce 2-[(Methylsulfonyl)-methyl]-2-pyridinmethanol. It will need reagent NaBH4 and solvent ethanol. The yield is about 89%.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ncccc1)CS(=O)(=O)C
(2)InChI: InChI=1S/C8H9NO3S/c1-13(11,12)6-8(10)7-4-2-3-5-9-7/h2-5H,6H2,1H3
(3)InChIKey: ZGMMUHVILAEGAA-UHFFFAOYSA-N