| Identification | Back Directory | [Name]
NITROMETHYL PHENYL SULFONE | [CAS]
21272-85-5 | [Synonyms]
Einecs 244-308-5
TIMTEC-BB SBB003532
NITROMETHYL PHENYL SULFONE
BENZENESULFONYLNITROMETHANE
Phenyl(nitromethyl) sulfone
(NITROMETHYLSULFONYL)BENZENE
(PHENYLSULFONYL)NITROMETHANE
BENZENESULPHONYL NITROMETHANE
4-BENZENESULPHONYLNITROMETHANE
[(nitromethyl)sulphonyl]benzene
Benzene, [(nitromethyl)sulfonyl]-
Nitromethyl phenyl sulfone >=99.0% (T)
(NITROMETHYL)(DIOXO)PHENYL-LAMBDA6-SULFANE
(Nitromethylsulfonyl)benzene, (Phenylsulfonyl)nitromethane, Benzenesulfonylnitromethane | [EINECS(EC#)]
244-308-5 | [Molecular Formula]
C7H7NO4S | [MDL Number]
MFCD00015928 | [MOL File]
21272-85-5.mol | [Molecular Weight]
201.2 |
| Chemical Properties | Back Directory | [Melting point ]
78-80 °C | [Boiling point ]
122-123 °C | [density ]
1.397±0.06 g/cm3(Predicted) | [solubility ]
insoluble in water; soluble in CH2Cl2, hot alcohol. | [form ]
crystals | [pka]
4.07±0.29(Predicted) | [BRN ]
1876502 |
| Hazard Information | Back Directory | [Uses]
Phenylsulfonylnitromethane is a precursor for α-nitro sulfones and a precursor for phenylsulfonylnitrile oxide for 1,3-dipolar cycloadditions.
| [Synthesis]
The Preparative Method of Phenylsulfonylnitromethane: Nitromethane, Sodium Benzenesulfonate, and Iodine have been added sequentially to a cold (0-5 °C) DMF solution of Sodium Methoxide. The reagent can be converted to NaO2N=CHSO2Ph (1) and LiO2N=CHSO2Ph (2) using NaOMe and LiOMe, respectively. | [Purification Methods]
Recrystallise the sulfone from CHCl3, or 95% EtOH, then sublime it at 100-120o/0.1 Torr and recrystallise again. It is an acidic analogue of nitromethane used for the general synthesis of aliphatic acids and nitriles and in cycloaddition reactions with olefins to form heterocycles. [Wade et al. J Org Chem 46 765 1981, 49 4595 1984, Beilstein 6 II 292.] | [Precautions]
Indefinitely stable; the nitronate salts (1) and (2) can be stored dry without decomposition for several weeks but, like all nitronate salts, they are explosive: (2) vigorously decomposes above 150 °C
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Energy Chemical
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Sigma-Aldrich
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Shanghai Bank Pharma Limited
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