Cas no 59312-69-5 (Benzenesulfonic acid,3-amino-4-chloro-, sodium salt (1:1))
59312-69-5 structure
Product Name:Benzenesulfonic acid,3-amino-4-chloro-, sodium salt (1:1)
CAS No:59312-69-5
MF:C6H5ClNNaO3S
MW:229.616570234299
CID:376083
PubChem ID:23696807
Update Time:2025-04-19
Benzenesulfonic acid,3-amino-4-chloro-, sodium salt (1:1) Chemical and Physical Properties
Names and Identifiers
-
- Benzenesulfonic acid,3-amino-4-chloro-, sodium salt (1:1)
- sodium 3-amino-4-chlorobenzenesulphonate
- sodium,3-amino-4-chlorobenzenesulfonate
- 59312-69-5
- DTXSID00208049
- NS00088131
- EINECS 261-694-0
-
- Inchi： 1S/C6H6ClNO3S.Na/c7-5-2-1-4(3-6(5)8)12(9,10)11;/h1-3H,8H2,(H,9,10,11);/q;+1/p-1
- InChI Key： FIOKHZOTSMOMDV-UHFFFAOYSA-M
- SMILES： ClC1C=CC(=CC=1N)S(=O)(=O)[O-].[Na+]
Computed Properties
- Exact Mass: 228.95775
- Monoisotopic Mass: 228.957636
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 253
- 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: 91.6
Experimental Properties
- PSA: 83.22
Benzenesulfonic acid,3-amino-4-chloro-, sodium salt (1:1) Related Literature
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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