Cas no 71501-32-1 (Benzenesulfonic acid,2-chloro-5-methyl-3-nitro-, sodium salt (1:1))
71501-32-1 structure
Product Name:Benzenesulfonic acid,2-chloro-5-methyl-3-nitro-, sodium salt (1:1)
CAS No:71501-32-1
MF:C7H5ClNNaO5S
MW:273.626070737839
CID:576417
PubChem ID:3018162
Update Time:2025-04-19
Benzenesulfonic acid,2-chloro-5-methyl-3-nitro-, sodium salt (1:1) Chemical and Physical Properties
Names and Identifiers
-
- Benzenesulfonic acid,2-chloro-5-methyl-3-nitro-, sodium salt (1:1)
- sodium 4-chloro-5-nitrotoluene-3-sulphonate
- sodium,2-chloro-5-methyl-3-nitrobenzenesulfonate
- NS00061605
- EINECS 275-562-5
- 71501-32-1
-
- Inchi： 1S/C7H6ClNO5S.Na/c1-4-2-5(9(10)11)7(8)6(3-4)15(12,13)14;/h2-3H,1H3,(H,12,13,14);/q;+1/p-1
- InChI Key： GQZBJDARSGYLNM-UHFFFAOYSA-M
- SMILES： ClC1=C(C=C(C)C=C1S(=O)(=O)[O-])[N+](=O)[O-].[Na+]
Computed Properties
- Exact Mass: 272.94755
- Monoisotopic Mass: 272.9474654g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 16
- Rotatable Bond Count: 0
- Complexity: 332
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: nothing
- Topological Polar Surface Area: 111?2
Experimental Properties
- PSA: 100.34
Benzenesulfonic acid,2-chloro-5-methyl-3-nitro-, sodium salt (1:1) Related Literature
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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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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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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