Cas no 38950-28-6 (Benzenesulfonic acid,3,4-dichloro-, sodium salt (1:1))
38950-28-6 structure
Product Name:Benzenesulfonic acid,3,4-dichloro-, sodium salt (1:1)
CAS No:38950-28-6
MF:C6H5Cl2NaO3S
MW:251.062869787216
CID:308887
PubChem ID:3084725
Update Time:2025-04-19
Benzenesulfonic acid,3,4-dichloro-, sodium salt (1:1) Chemical and Physical Properties
Names and Identifiers
-
- Benzenesulfonic acid,3,4-dichloro-, sodium salt (1:1)
- KLIGLER IRON AGAR
- Sodium 3,4-Dichlorobenzenesulfonate
- sodium,3,4-dichlorobenzenesulfonic acid
- 3,4-Dichlorobenzenesulfonic acid sodium salt
- Nsc190681
- sodium 3,4-dichlorobenzenesulphonate
- 38950-28-6
- NSC 190681
- EINECS 254-208-3
- sodium;3,4-dichlorobenzenesulfonic acid;hydride
-
- Inchi： 1S/C6H4Cl2O3S.Na.H/c7-5-2-1-4(3-6(5)8)12(9,10)11;;/h1-3H,(H,9,10,11);;/q;+1;-1
- InChI Key： MXAHKSOECNQORE-UHFFFAOYSA-N
- SMILES： ClC1=C(C=CC(=C1)S(=O)(=O)O)Cl.[Na+].[H-]
Computed Properties
- Exact Mass: 247.90789
- Monoisotopic Mass: 247.908
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 246
- 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
- XLogP3: Not determined
- Topological Polar Surface Area: 54.4
Experimental Properties
- Density: 1.668
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- PSA: 57.2
- LogP: 3.32090
Benzenesulfonic acid,3,4-dichloro-, sodium salt (1:1) Related Literature
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Yu Long,Bing Yuan,Jianrui Niu,Xin Tong,Jiantai Ma New J. Chem., 2015,39, 1179-1185
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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