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  • 16823-61-3 Structure
  • Basic information

    1. Product Name: DI-N-HEXYL SULFONE
    2. Synonyms: HEXYL SULFONE;DI-N-HEXYL SULFONE;DI-N-HEXYL SULFOXIDE;DIHEXYL SULFONE
    3. CAS NO:16823-61-3
    4. Molecular Formula: C12H26O2S
    5. Molecular Weight: 234.4
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 16823-61-3.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 345.2°C at 760 mmHg
    3. Flash Point: 171.3°C
    4. Appearance: /
    5. Density: 0.946g/cm3
    6. Vapor Pressure: 0.000125mmHg at 25°C
    7. Refractive Index: 1.448
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: DI-N-HEXYL SULFONE(CAS DataBase Reference)
    11. NIST Chemistry Reference: DI-N-HEXYL SULFONE(16823-61-3)
    12. EPA Substance Registry System: DI-N-HEXYL SULFONE(16823-61-3)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 16823-61-3(Hazardous Substances Data)

16823-61-3 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 16823-61-3 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 1,6,8,2 and 3 respectively; the second part has 2 digits, 6 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 16823-61:
(7*1)+(6*6)+(5*8)+(4*2)+(3*3)+(2*6)+(1*1)=113
113 % 10 = 3
So 16823-61-3 is a valid CAS Registry Number.
InChI:InChI=1/C12H26O2S/c1-3-5-7-9-11-15(13,14)12-10-8-6-4-2/h3-12H2,1-2H3

16823-61-3Downstream Products

16823-61-3Relevant articles and documents

A sustainable approach towards solventless organic oxidations catalyzed by polymer immobilized Nb(V)-peroxido compounds with H2O2 as oxidant

Ahmed, Kabirun,Gogoi, Sandhya Rani,Islam, Nashreen S.,Saikia, Gangutri,Sultana, Sazida Yasmin,Talukdar, Hiya

, (2021/11/16)

New heterogeneous catalysts comprising of peroxidoniobium(V) complexes immobilized on amino acid grafted cross-linked poly(styrene-divinylbenzene) resin has been developed. Results of FTIR, Raman, NMR, XPS, XRD, EDX, SEM, BET, TGA, and elemental analysis confirmed the successful anchoring of triperoxidoniobium(V), [Nb(O2)3]? species to the host polymer via the pendant amino acid groups. The supported catalysts exhibited excellent performance in epoxidation of styrene and a range of cyclic and terpenic compounds under environmentally acceptable solvent-free condition, with aqueous H2O2 as oxidant. The catalytic protocols provided excellent conversion to the desired epoxide (up to 100%) with selectivity > 99%, TON as high as 1000, and high H2O2 utilization efficiency (92–97%). Moreover, the catalysts efficiently facilitated chemoselective solvent-free oxidation of a variety of thioethers to sulfones at room temperature. Simple operational strategy, easy recyclability for multiple reaction cycles with the consistent activity-selectivity profile are the additional significant attributes of the developed catalytic processes.

Water-soluble polymer anchored peroxotitanates as environmentally clean and recyclable catalysts for mild and selective oxidation of sulfides with H2O2 in water

Ahmed, Kabirun,Saikia, Gangutri,Paul, Sivangi,Baruah, Satyajit Dey,Talukdar, Hiya,Sharma, Mitu,Islam, Nashreen S.

, (2019/10/02)

Anchoring of peroxotitanium (pTi) species to linear water-soluble acrylic acid based polymers, poly(sodium acrylate) (PA) and poly(sodium methacrylate) (PMA) led to the successful synthesis of a pair of new, water-tolerant and recyclable catalysts of the type [Ti2(O2)2O2(OH)2]4-—L (L = PA or PMA), highly effective in chemoselective sulfoxidation of organic sulfides with 30% H2O2 in aqueous medium at ambient temperature. The catalytic protocol is high yielding (TOF up to 11,280 h?1), operationally simple as well as environmentally clean and safe, being free from halide, or any other toxic auxiliaries. The catalysts are sufficiently stable to afford easy recyclability for at least 10 consecutive reaction cycles of sulfoxidation with consistent activity selectivity profile. Oxidation of dibenzothiophene (DBT) to respective high purity sulfoxide or sulfone could also be accomplished using the same catalysts by variation of reaction conditions.

An Efficient Oxidation of Sulfides to Sulfones with Urea-Hydrogen Peroxide in the Presence of Phthalic Anhydride in Ethyl Acetate

Lutz, Marlon,Wenzler, Marta,Likhotvorik, Igor

supporting information, p. 2231 - 2234 (2018/04/16)

A metal-free, environmentally benign oxidation of substituted sulfides directly to their corresponding sulfones is described. Using urea-hydrogen peroxide and phthalic anhydride in ethyl acetate clean conversion into the sulfone was achieved without observation of the possible sulfoxide oxidation product.

Peroxoniobium(v)-catalyzed selective oxidation of sulfides with hydrogen peroxide in water: A sustainable approach

Gogoi, Sandhya Rani,Boruah, Jeena Jyoti,Sengupta, Gargi,Saikia, Gangutri,Ahmed, Kabirun,Bania, Kusum K.,Islam, Nashreen S.

, p. 595 - 610 (2015/02/02)

An efficient and eco-compatible route for the selective oxidation of a variety of thioethers to the corresponding sulfoxide or sulfone with 30% aqueous H2O2 in water, using newly synthesized peroxoniobium (pNb) complexes as catalysts, is described. The catalysts with formulas Na2[Nb(O2)3(arg)]·2H2O (arg = arginate) (NbA) and Na2[Nb(O2)3(nic)(H2O)]·H2O (nic = nicotinate) (NbN) have been synthesized from the reaction of sodium tetraperoxoniobate with 30% H2O2 and the respective organic ligand in an aqueous medium, and these have been comprehensively characterized by elemental analysis, spectral studies (FTIR, Raman, 1H NMR, 13C NMR and UV-vis), EDX analysis and TGA-DTG analysis. The density functional theory (DFT) method has been used to investigate the structure of the synthesized pNb complexes. The catalysts are physiologically safe and can be reused for at least six reaction cycles without losing their activity or selectivity. The oxidation is chemoselective for sulfides or sulfoxides leaving the C=C or alcoholic moiety unaffected. The developed methodologies, apart from being high yielding and straightforward, are completely free from halogen, organic co-solvent, or co-catalysts.

Merrifield resin supported peroxomolybdenum(vi) compounds: Recoverable heterogeneous catalysts for the efficient, selective and mild oxidation of organic sulfides with H2O2

Boruah, Jeena Jyoti,Das, Siva Prasad,Ankireddy, Seshadri Reddy,Gogoi, Sandhya Rani,Islam, Nashreen S.

, p. 2944 - 2959 (2013/10/08)

We have generated new heterogeneous catalysts by immobilizing dioxomonoperoxomolybdenum(vi) on amino acid functionalized Merrifield resin, which exhibit excellent activity, stability and selectivity for the oxidation of thioethers and dibenzothiophene (DBT) to the corresponding sulfoxides or sulfones by H2O2 at ambient temperature. The synthetic protocols are high-yielding, halogen-free, environmentally clean and safe, and operationally simple. The catalysts, [MoO2(O2)(L) 2]2--MR [L = valine (MRVMo) or alanine (MRAMo) and MR = Merrifield resin] were prepared by reacting H2MoO4 with 30% H2O2 and the respective amino acid functionalized resin, at near neutral pH. The compounds were characterized by elemental analysis, spectral studies (FTIR, Raman, 13C NMR and 95Mo NMR, diffuse reflectance UV-Vis and XPS), SEM, EDX, XRD, Brunauer-Emmett-Teller (BET) and TGA-DTG analysis. The easy recyclability of the catalysts for several catalytic cycles without change in activity and selectivity, their complete chemoselectivity towards the sulfur group of substrates bearing other oxidation prone functional groups, are important "green" attributes of these catalysts.

METAL COMPLEX-CATALYZED SYNTHESIS OF DIHYDROTHIAPYRANS FROM DIALKYL SULFOXIDES AND 1,3-DIENES

Dzhemilev, U. M.,Kunakova, R. V.,Baibulatova, N. Z.,Tarasenko, A. E.,Mustafina, E. M.

, p. 128 - 134 (2007/10/02)

A preparative method has been developed for the synthesis of dihydrothiapyrans from dialkyl sulfoxides and 1,3-dienes, catalyzed by palladium and nickel complexes.The scope of this reaction has been assessed, and a mechanism proposed, using 1,3-dienes and sulfoxides of varying structure. Keywords: synthesis, dihydrothiapyrans, catalysts, mechanism, sulfides, 1,3-dienes.

A Convenient Synthesis of Sulfones by the Oxone Oxidation of Sulfides in an Protic Solvent in the Presence of Clay Minerals

Hirano, Masao,Tomaru, Jun-ichirou,Morimoto, Takashi

, p. 3752 - 3754 (2007/10/02)

The title oxidation in dichloromethane in the presence of ''wet''-montmorillonite and -kaolin afforded the corresponding sulfones in excellent to almost quantitative yield under neutral and mild conditions.

A Facile Synthesis of Sulfones by the Oxidation of Various Sulfides with Oxone in Aprotic Solvent in the Presence of "Wet-Montmorillonite"

Hirano, Masao,Tomaru, Jun-ichirou,Morimoto, Takashi

, p. 523 - 524 (2007/10/02)

Oxidation of sulfide with Oxone in dichloromethane in the presence of wet-montmorillonite clay gave sulfones in excellent yields under mild conditions.

The Titanium Dioxide Sensitised Photo-Oxidation of Sulphides

Davidson, R. Stephen,Pratt, Julie E.

, p. 5903 - 5906 (2007/10/02)

Titanium dioxide has been shown to photosensitise the oxidation of sulphides to give sulphoxides and sulphones.Evidence is presented against the involvement of singlet oxygen and in favour of the sulphide radical cations as being intermediates.

Determination of Sulfur in Asphalts by Selective Oxidation and Photoelectron Spectroscopy for Chemical Analysis

Ruiz, Jean-Michel,Carden, Brian M.,Lena, Louis J.Vincent, Emile-Jean,Escalier, Jean-Claude

, p. 688 - 691 (2007/10/02)

The characterization of sulfur in asphalts is investigated by coupling selective reactions and photoelectron spectroscopy for chemical analysis.The specificity of the two following reactions has been studied on test compounds: oxidation of sulfides with tert-butyl hydroperoxide in chloroform (a); reduction by lithium aluminum hydride of sulfones in tetrahydrofuran (b).These reactions have been used with an asphalt, directly for (a) or after a preoxidation with m-chloroperbenzoic acid for (b) to determine, using photoelectron spectroscopy, which kind of sulfur was invol ved.An analytical scheme sums up the different results: cyclic sulfides = 67percent, thiophenic sulfides = 54percent, cyclanic sulfide = 13percent, alkyl and aryl alkyl sulfides = 33percent.

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