Cas no 20628-33-5 (2-amino-5-nitrobenzenesulfonyl chloride)
20628-33-5 structure
Product Name:2-amino-5-nitrobenzenesulfonyl chloride
CAS No:20628-33-5
MF:C6H5ClN2O4S
MW:236.632899045944
CID:1395024
PubChem ID:88624
Update Time:2025-04-20
2-amino-5-nitrobenzenesulfonyl chloride Chemical and Physical Properties
Names and Identifiers
-
- 2-amino-5-nitrobenzenesulfonyl chloride
- benzenesulfonyl chloride, 2-amino-5-nitro-
- SCHEMBL15976059
- 20628-33-5
- DTXSID8066634
- GIYARLIXINTLTK-UHFFFAOYSA-N
-
- Inchi： 1S/C6H5ClN2O4S/c7-14(12,13)6-3-4(9(10)11)1-2-5(6)8/h1-3H,8H2
- InChI Key： GIYARLIXINTLTK-UHFFFAOYSA-N
- SMILES： ClS(C1C=C(C=CC=1N)[N+](=O)[O-])(=O)=O
Computed Properties
- Exact Mass: 235.96595
- Monoisotopic Mass: 235.966
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 320
- 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: 1.6
- Topological Polar Surface Area: 114?2
Experimental Properties
- Density: 1.687
- Boiling Point: 444.2°C at 760 mmHg
- Flash Point: 222.5°C
- Refractive Index: 1.632
- PSA: 103.3
2-amino-5-nitrobenzenesulfonyl chloride Related Literature
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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