Cas no 28575-89-5 (Benzenesulfonic acid,dodecyl-, barium salt (2:1))
28575-89-5 structure
Product Name:Benzenesulfonic acid,dodecyl-, barium salt (2:1)
CAS No:28575-89-5
MF:C36H58BaO6S2
MW:788.29912519455
CID:263590
PubChem ID:21872309
Update Time:2025-04-19
Benzenesulfonic acid,dodecyl-, barium salt (2:1) Chemical and Physical Properties
Names and Identifiers
-
- Benzenesulfonic acid,dodecyl-, barium salt (2:1)
- barium bis(2-dodecylbenzenesulfonate)
- Barium dodecylbenzenesulphonate
- benzenesulfonate, 2-dodecyl-, barium salt
- 28575-89-5
- DTXSID90951254
- NS00083175
- Barium bis(2-dodecylbenzene-1-sulfonate)
- EINECS 249-090-5
- barium dodecylbenzenesulfonate
- SCHEMBL2531913
-
- Inchi： 1S/2C18H30O3S.Ba/c2*1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21;/h2*12-13,15-16H,2-11,14H2,1H3,(H,19,20,21);/q;;+2/p-2
- InChI Key： BBCDCWSBHCIZJI-UHFFFAOYSA-L
- SMILES： [Ba+2].S(C1C=CC=CC=1CCCCCCCCCCCC)(=O)(=O)[O-].S(C1C=CC=CC=1CCCCCCCCCCCC)(=O)(=O)[O-]
Computed Properties
- Exact Mass: 456.0977
- Monoisotopic Mass: 788.273
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 45
- Rotatable Bond Count: 22
- Complexity: 346
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 131A^2
Experimental Properties
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- PSA: 43.37
Benzenesulfonic acid,dodecyl-, barium salt (2:1) Related Literature
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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4. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
28575-89-5 (Benzenesulfonic acid,dodecyl-, barium salt (2:1)) Related Products
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