628-34-2 Purity
99%
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Specification
The molecular formula of Sodium 3-nitrobenzenesulphonate is C6H4NNaO5S.
The molecular weight of Sodium 3-nitrobenzenesulphonate is 225.16 g/mol.
Some synonyms for Sodium 3-nitrobenzenesulphonate are Sodium 3-nitrobenzenesulphonate, 3-Nitrobenzenesulfonic acid sodium salt, and Sodium m-nitrobenzenesulfonate.
The IUPAC name of Sodium 3-nitrobenzenesulphonate is sodium;3-nitrobenzenesulfonate.
The InChIKey of Sodium 3-nitrobenzenesulphonate is LJRGBERXYNQPJI-UHFFFAOYSA-M.
The CAS number of Sodium 3-nitrobenzenesulphonate is 127-68-4.
The exact mass of Sodium 3-nitrobenzenesulphonate is 224.97078768 g/mol.
Sodium 3-nitrobenzenesulphonate has 5 hydrogen bond acceptors.
Sodium 3-nitrobenzenesulphonate has 0 rotatable bonds.
The topological polar surface area of Sodium 3-nitrobenzenesulphonate is 111?2.
Reference: [1] Angewandte Chemie - International Edition, 2013, vol. 52, # 51, p. 13588 - 13592
Reference: [1] Bioorganic and Medicinal Chemistry Letters, 1999, vol. 9, # 11, p. 1587 - 1592
[2] Tetrahedron Letters, 1994, vol. 35, # 3, p. 393 - 396
Reference: [1] European Journal of Organic Chemistry, 2004, # 16, p. 3447 - 3458
Reference: [1]Justus Liebigs Annalen der Chemie,1968,vol. 712,p. 208 - 213
Reference: [1]Location in patent: experimental part
Kalisiak, Jarostaw; Trauger, Sunia A.; Kalisiak, Ewa; Morita, Hirotoshi; Fokin, Valery V.; et al.
[Journal of the American Chemical Society, 2009, vol. 131, p. 378 - 386]
[2]Hu, Wenqiag; Hesse, Manfred
[Helvetica Chimica Acta, 1996, vol. 79, # 2, p. 548 - 559]
[3]Sosnovsky; Lukszo
[Zeitschrift fur Naturforschung, Teil B: Anorganische Chemie, Organische Chemie, 1986, vol. 41, # 1, p. 122 - 129]
[4]Sosnovsky, George; Lukszo, Jan
[Zeitschrift fur Naturforschung, B: Chemical Sciences, 1994, vol. 49, # 11, p. 1580 - 1585]
[5]Chitkul, Bordin; Bradley, Mark
[Bioorganic and Medicinal Chemistry Letters, 2000, vol. 10, # 20, p. 2367 - 2369]
Reference: [1]Zhang, Qi; Chen, Kai; Rao, Weihao; Zhang, Yuejun; Chen, Fa-Jie; Shi, Bing-Feng
[Angewandte Chemie - International Edition, 2013, vol. 52, # 51, p. 13588 - 13592][Angew. Chem., 2013, vol. 125, # 51, p. 13833 - 13837,5]
* For details of the synthesis route, please refer to the original source to ensure accuracy.