Cas no 50854-94-9 (Benzenesulfonic acid,undecyl-)
Benzenesulfonic acid,undecyl- structure
Product Name:Benzenesulfonic acid,undecyl-
Benzenesulfonic acid,undecyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzenesulfonic acid,undecyl-
- 2-undecylbenzenesulfonic acid
- undecylbenzenesulphonic acid
- 4-undecylbenzenesulfonic acid
- Alkyl(C11)benzenesulfonic acid
- Undecylbenzenesulfonic acid
- 50854-94-9
- 39156-49-5
- NS00076666
- 4-Undecyl-Benzenesulfonic acid
- SCHEMBL4534627
- p-Undecylbenzenesulfonic acid
- EINECS 256-805-4
- 4-undecylbenzene-1-sulfonic acid
- 4-undecylbenzenesulphonic acid
- undecyl-benzenesulfonic acid
- 4-undecyl benzene sulfonic acid
- Benzenesulfonic acid, 4-undecyl-
- UCDCOJNNUVYFKJ-UHFFFAOYSA-N
- CHEBI:141538
- n-undecylbenzenesulfonic acid
- Benzenesulfonic acid, undecyl-
-
- Inchi： 1S/C17H28O3S/c1-2-3-4-5-6-7-8-9-10-11-16-12-14-17(15-13-16)21(18,19)20/h12-15H,2-11H2,1H3,(H,18,19,20)
- InChI Key： UCDCOJNNUVYFKJ-UHFFFAOYSA-N
- SMILES： S(C1C=CC(=CC=1)CCCCCCCCCCC)(=O)(=O)O
Computed Properties
- Exact Mass: 312.17604
- Monoisotopic Mass: 312.175915
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 21
- Rotatable Bond Count: 11
- Complexity: 346
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 6.3
- Topological Polar Surface Area: 62.8
Experimental Properties
- Density: 1.064
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- Refractive Index: 1.511
- PSA: 54.37
Benzenesulfonic acid,undecyl- Security Information
- Hazardous Material transportation number：2586
- HazardClass：8
- PackingGroup：III
Benzenesulfonic acid,undecyl- Related Literature
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Patricia A. A. M. Vaz,Jo?o Rocha,Artur M. S. Silva New J. Chem., 2016,40, 8198-8201
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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