Cas no 16823-62-4 (Benzene,(butylsulfonyl)-)
Benzene,(butylsulfonyl)- structure
Product Name:Benzene,(butylsulfonyl)-
CAS No:16823-62-4
MF:C10H14O2S
MW:198.281961917877
CID:162708
PubChem ID:238507
Update Time:2025-04-19
Benzene,(butylsulfonyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene,(butylsulfonyl)-
- butylsulfonylbenzene
- butyl phenyl sulfone
- (butylsulfonyl)benzene
- NSC42881
- AKOS024324554
- phenylsulfonylbutane
- DTXSID80285813
- (Butane-1-sulfonyl)-benzene
- NSC-42881
- 16823-62-4
- SCHEMBL777886
-
- Inchi： 1S/C10H14O2S/c1-2-3-9-13(11,12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3
- InChI Key： SSGWVSXDZMOXDW-UHFFFAOYSA-N
- SMILES： S(C1C=CC=CC=1)(CCCC)(=O)=O
Computed Properties
- Exact Mass: 198.07152
- Monoisotopic Mass: 198.071
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 220
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.4
- Topological Polar Surface Area: 42.5?2
Experimental Properties
- Density: 1.097
- Boiling Point: 337.8°Cat760mmHg
- Flash Point: 186.9°C
- Refractive Index: 1.51
- PSA: 34.14
Benzene,(butylsulfonyl)- Related Literature
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1. Nickel-catalysed substitutions of aryl tert-butyl sulfones with organometallic reagents: synthesis of ortho-substituted unsymmetrical biarylsJonathan Clayden,J. Jonathan A. Cooney,Marc Julia J. Chem. Soc. Perkin Trans. 1 1995 7
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2. A reactivity study of [η6-(tert-butylsulfonyl)benzene]-tricarbonylchromium(0)Susan E. Gibson (née Thomas),Nathalie Guillo,Andrew J. P. White,David J. Williams J. Chem. Soc. Perkin Trans. 1 1996 2575
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Norazah B. Basar,Hao Liu,Devendra Negi,Hasnah M. Sirat,Gareth A. Morris,Eric J. Thomas Org. Biomol. Chem. 2012 10 1743
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4. Synthesis and first X-ray structure analysis of a stabilized chiral chlorobismuthine: fixation of molecular geometry induced by the intramolecular coordination of a sulfonyl groupHitomi Suzuki,Toshihiro Murafuji,Nagao Azuma J. Chem. Soc. Perkin Trans. 1 1993 1169
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Ahmed Ghanimi,Bruno Fabre,Jacques Simonet New J. Chem. 1998 22 831
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