Cas no 7057-68-3 (3,5-Diamino-4-chlorobenzenesulphonic acid)
7057-68-3 structure
Product Name:3,5-Diamino-4-chlorobenzenesulphonic acid
CAS No:7057-68-3
MF:C6H7ClN2O3S
MW:222.649379014969
CID:573143
PubChem ID:81508
Update Time:2025-04-19
3,5-Diamino-4-chlorobenzenesulphonic acid Chemical and Physical Properties
Names and Identifiers
-
- 3,5-Diamino-4-chlorobenzenesulphonic acid
- 3,5-diamino-4-chlorobenzenesulfonic acid
- 2-Chlor-phenylendiamin-(1.3)-sulfonsaeure-(5)
- 3,5-Diamino-4-chlor-benzolsulfonsaeure
- 3,5-diamino-4-chloro-benzenesulfonic acid
- Benzenesulfonic acid,3,5-diamino-4-chloro
- EINECS 230-339-1
- SCHEMBL9070253
- BENZENESULPHONIC ACID, 3,5-DIAMINO-4-CHLORO-
- Benzenesulfonic acid, 3,5-diamino-4-chloro-
- A53UZ3HDW4
- 3,5-Diamino-4-chlorobenzene-1-sulfonic acid
- 7057-68-3
- DTXSID9064552
- 3,5-DIAMINO-4-CHLOROBENZENE-1-SULPHONIC ACID
- NS00037067
- UNII-A53UZ3HDW4
- 3,5-Diamino-4-chlorobenzene sulfonic acid
-
- Inchi： 1S/C6H7ClN2O3S/c7-6-4(8)1-3(2-5(6)9)13(10,11)12/h1-2H,8-9H2,(H,10,11,12)
- InChI Key： PIJNMVNHBRSTEJ-UHFFFAOYSA-N
- SMILES： ClC1=C(C=C(C=C1N)S(=O)(=O)O)N
Computed Properties
- Exact Mass: 221.98700
- Monoisotopic Mass: 221.9865910g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 264
- 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: -0.1
- Topological Polar Surface Area: 115?2
Experimental Properties
- PSA: 114.79000
- LogP: 2.99430
3,5-Diamino-4-chlorobenzenesulphonic acid Related Literature
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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