Cas no 4346-49-0 (Benzenesulfonicacid, 4-nitro-, potassium salt (1:1))
4346-49-0 structure
Product Name:Benzenesulfonicacid, 4-nitro-, potassium salt (1:1)
CAS No:4346-49-0
MF:C6H4KNO5S
MW:241.262961387634
CID:334973
PubChem ID:12037034
Update Time:2025-04-19
Benzenesulfonicacid, 4-nitro-, potassium salt (1:1) Chemical and Physical Properties
Names and Identifiers
-
- Benzenesulfonicacid, 4-nitro-, potassium salt (1:1)
- potassium,4-nitrobenzenesulfonic acid
- Kalium-4-nitro-benzol-sulfonat
- potassium 4-nitrophenylsulfonate
- 81012-90-0
- potassium 4-nitrobenzenesulfonate H2O
- SCHEMBL10442296
- 4346-49-0
- potassium 4-nitrobenzenesulfonate
-
- Inchi: 1S/C6H5NO5S.K/c8-7(9)5-1-3-6(4-2-5)13(10,11)12;/h1-4H,(H,10,11,12);/q;+1/p-1
- InChI Key: FERODINMFGAWHO-UHFFFAOYSA-M
- SMILES: [K+].S(C1C=CC(=CC=1)[N+](=O)[O-])(=O)(=O)[O-]
Computed Properties
- Exact Mass: 241.95300
- Monoisotopic Mass: 241.953
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 279
- 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: 1.637
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- PSA: 108.57000
- LogP: 2.44550
Benzenesulfonicacid, 4-nitro-, potassium salt (1:1) Related Literature
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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