Cas no 69383-56-8 (Benzenesulfonic acid,2,4-dimethyl-5-nitro-, sodium salt (1:1))
69383-56-8 structure
Product Name:Benzenesulfonic acid,2,4-dimethyl-5-nitro-, sodium salt (1:1)
CAS No:69383-56-8
MF:C8H9NNaO5S
MW:254.215532064438
CID:511159
PubChem ID:54602630
Update Time:2025-04-19
Benzenesulfonic acid,2,4-dimethyl-5-nitro-, sodium salt (1:1) Chemical and Physical Properties
Names and Identifiers
-
- Benzenesulfonic acid,2,4-dimethyl-5-nitro-, sodium salt (1:1)
- sodium,2,4-dimethyl-5-nitrobenzenesulfonic acid
- NSC201518
- NSC-201518
- sodium;2,4-dimethyl-5-nitrobenzenesulfonic acid
- DTXSID70713397
- 69383-56-8
-
- Inchi： 1S/C8H9NO5S.Na/c1-5-3-6(2)8(15(12,13)14)4-7(5)9(10)11;/h3-4H,1-2H3,(H,12,13,14);/q;+1
- InChI Key： XWELBDUUCHWSNQ-UHFFFAOYSA-N
- SMILES： S(C1C=C(C(C)=CC=1C)[N+](=O)[O-])(=O)(=O)O.[Na+]
Computed Properties
- Exact Mass: 231.02017
- Monoisotopic Mass: 254.01
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 352
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 109A^2
Experimental Properties
- Density: 1.476
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- Refractive Index: 1.583
- PSA: 97.51
- LogP: 3.06230
Benzenesulfonic acid,2,4-dimethyl-5-nitro-, sodium salt (1:1) Related Literature
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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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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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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