Cas no 33144-12-6 (Benzenesulfonic acid,2,4,6-trimethyl-3,5-dinitro-)
33144-12-6 structure
Product Name:Benzenesulfonic acid,2,4,6-trimethyl-3,5-dinitro-
CAS No:33144-12-6
MF:C9H10N2O7S
MW:290.249901294708
CID:315546
PubChem ID:118403
Update Time:2025-04-19
Benzenesulfonic acid,2,4,6-trimethyl-3,5-dinitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzenesulfonic acid,2,4,6-trimethyl-3,5-dinitro-
- 2,4,6-trimethyl-3,5-dinitrobenzenesulfonic acid
- 4,6-Dinitromesitylene-2-sulphonic acid
- Dinitromesitylenesulfonic acid
- 74SNC88BF8
- NS00029426
- W-110831
- 2,4-Dinitro-1,3,5-trimethylbenzene-6-sulfonic acid
- 4,6-Dinitromesitylene-2-sulfonic acid
- DTXSID2067749
- SCHEMBL7821939
- Benzenesulfonic acid, 2,4,6-trimethyl-3,5-dinitro-
- 33144-12-6
- 2,4,6-trimethyl-3,5-dinitro-benzenesulfonic acid
- EINECS 251-392-7
-
- Inchi： 1S/C9H10N2O7S/c1-4-7(10(12)13)5(2)9(19(16,17)18)6(3)8(4)11(14)15/h1-3H3,(H,16,17,18)
- InChI Key： RGNRSPQQRBBORA-UHFFFAOYSA-N
- SMILES： S(C1C(C)=C(C(C)=C(C=1C)[N+](=O)[O-])[N+](=O)[O-])(=O)(=O)O
Computed Properties
- Exact Mass: 290.0209
- Monoisotopic Mass: 290.021
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 19
- Rotatable Bond Count: 1
- Complexity: 446
- 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: 1.4
- Topological Polar Surface Area: 154?2
Experimental Properties
- Density: 1.571
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- Refractive Index: 1.598
- PSA: 140.65
Benzenesulfonic acid,2,4,6-trimethyl-3,5-dinitro- Related Literature
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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