Cas no 12379-41-8 (Benzenesulfonic acid,dinitro-)
Benzenesulfonic acid,dinitro- structure
Product Name:Benzenesulfonic acid,dinitro-
CAS No:12379-41-8
MF:C6H4N2O7S
MW:248.170160293579
CID:185426
Update Time:2024-01-25
Benzenesulfonic acid,dinitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzenesulfonic acid,dinitro-
- dinitrobenzenesulfonic acid
- 2,3-dinitrobenzenesulfonic acid
- Benzenesulfonic acid, dinitro- (VAN)
-
- Inchi： 1S/C6H4N2O7S/c9-7(10)4-2-1-3-5(16(13,14)15)6(4)8(11)12/h1-3H,(H,13,14,15)
- InChI Key： IORISFYTXJVNFE-UHFFFAOYSA-N
- SMILES： C1(S(O)(=O)=O)=CC=CC([N+]([O-])=O)=C1[N+]([O-])=O
Computed Properties
- Exact Mass: 247.97392
- Monoisotopic Mass: 247.974
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 16
- Rotatable Bond Count: 1
- Complexity: 389
- 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
- Topological Polar Surface Area: 154A^2
Experimental Properties
- Density: 1.826
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- Refractive Index: 1.643
- PSA: 146.01
Benzenesulfonic acid,dinitro- Related Literature
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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