Cas no 13596-75-3 (Benzene,(propylsulfonyl)-)
Benzene,(propylsulfonyl)- structure
Product Name:Benzene,(propylsulfonyl)-
CAS No:13596-75-3
MF:C9H12O2S
MW:184.255381584167
CID:206764
PubChem ID:139508
Update Time:2025-04-19
Benzene,(propylsulfonyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene,(propylsulfonyl)-
- propylsulfonylbenzene
- (Propylsulfonyl)benzene
- Benzene, (propylsulfonyl)-
- OKHILJWKJWMSEP-UHFFFAOYSA-N
- 13596-75-3
- phenyl propyl sulfone
- (Propane-1-sulfonyl)-benzene
- (Propylsulfonyl)benzene #
- DTXSID60159604
- SCHEMBL680611
-
- Inchi： 1S/C9H12O2S/c1-2-8-12(10,11)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
- InChI Key： OKHILJWKJWMSEP-UHFFFAOYSA-N
- SMILES： S(C1C=CC=CC=1)(CCC)(=O)=O
Computed Properties
- Exact Mass: 184.05586
- Monoisotopic Mass: 184.056
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 207
- 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: 2.1
- Topological Polar Surface Area: 42.5?2
Experimental Properties
- Density: 1.121
- Boiling Point: 325.1°Cat760mmHg
- Flash Point: 180.5°C
- Refractive Index: 1.514
- PSA: 34.14
Benzene,(propylsulfonyl)- Related Literature
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Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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