Cas no 22411-53-6 (1,3-Benzenedicarboxylicacid, 4,6-disulfo-)
22411-53-6 structure
Product Name:1,3-Benzenedicarboxylicacid, 4,6-disulfo-
CAS No:22411-53-6
MF:C8H6O10S2
MW:326.257240772247
CID:271156
PubChem ID:89699
Update Time:2025-04-19
1,3-Benzenedicarboxylicacid, 4,6-disulfo- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzenedicarboxylicacid, 4,6-disulfo-
- 4,6-disulfobenzene-1,3-dicarboxylic acid
- 4,6-Disulphoisophthalic acid
- 4,6-Disulfo-1,3-benzenedicarboxylic acid
- 22411-53-6
- UNII-9SR8EYN8QX
- DTXSID90176945
- 4,6-Di-sulfoisophthalic acid
- disulfoisophthalic acid
- SCHEMBL1044488
- 9SR8EYN8QX
- 4,6-disulfoisophthalic acid
- NS00027161
- 4,6-Di-sulphoisophthalic acid
- EINECS 244-965-8
- 1,3-Benzenedicarboxylic acid, 4,6-disulfo-
-
- Inchi： 1S/C8H6O10S2/c9-7(10)3-1-4(8(11)12)6(20(16,17)18)2-5(3)19(13,14)15/h1-2H,(H,9,10)(H,11,12)(H,13,14,15)(H,16,17,18)
- InChI Key： QZVPBBKGFDYOJB-UHFFFAOYSA-N
- SMILES： S(C1C=C(C(C(=O)O)=CC=1C(=O)O)S(=O)(=O)O)(=O)(=O)O
Computed Properties
- Exact Mass: 325.94018
- Monoisotopic Mass: 325.940238
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 10
- Heavy Atom Count: 20
- Rotatable Bond Count: 4
- Complexity: 553
- 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
- Topological Polar Surface Area: 200
- XLogP3: -1.5
Experimental Properties
- Density: 2.038
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- Refractive Index: 1.673
- PSA: 183.34
1,3-Benzenedicarboxylicacid, 4,6-disulfo- Related Literature
-
Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
-
Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
-
Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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