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2-Sulfoterephthalic Acid Monosodium Salt - ≥98.0%(HPLC), high purity , CAS No.19089-60-2
Basic Description
Synonyms
AKOS027320127 | SCHEMBL17631898 | 1,4-Benzenedicarboxylic acid, 2-sulfo-, monosodium salt | 1,4-Benzenedicarboxylic acid, 2-sulfo-, sodium salt (1:1) | AS-70357 | DTXSID40659950 | Monosodium2-Sulfoterephthalate | sodium 4-carboxy-2-sulfobenzoate | FT-0613
Specifications & Purity
≥98%(HPLC)
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzenesulfonic acids and derivatives
Intermediate Tree Nodes
Sulfobenzoic acids
Direct Parent
3-sulfobenzoic acids
Alternative Parents
2-sulfobenzoic acids P-phthalic acid and derivatives Benzoic acids Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds Benzoyl derivatives Sulfonyls Organosulfonic acids Carboxylic acids Organooxygen compounds Organic sodium salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
2-sulfobenzoic acid - 3-sulfobenzoic acid - Para_phthalic_acid - Benzenesulfonyl group - Arylsulfonic acid or derivatives - Benzoic acid or derivatives - Benzoic acid - 1-sulfo,2-unsubstituted aromatic compound - Benzoyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Carboxylic acid - Carboxylic acid derivative - Organic alkali metal salt - Organosulfur compound - Organooxygen compound - Organic salt - Organic sodium salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic cation - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as 3-sulfobenzoic acids. These are sulfobenzoic acid carrying the sulfonyl group at the 3-position of the benzene group.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
Pubchem Sid
488201071
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488201071
IUPAC Name
sodium;4-carboxy-2-sulfobenzoate
INCHI
InChI=1S/C8H6O7S.Na/c9-7(10)4-1-2-5(8(11)12)6(3-4)16(13,14)15;/h1-3H,(H,9,10)(H,11,12)(H,13,14,15);/q;+1/p-1
InChIKey
JARIJYUQOKFVAJ-UHFFFAOYSA-M
Smiles
C1=CC(=C(C=C1C(=O)O)S(=O)(=O)O)C(=O)[O-].[Na+]
Isomeric SMILES
C1=CC(=C(C=C1C(=O)O)S(=O)(=O)O)C(=O)[O-].[Na+]
Molecular Weight
268.17
Reaxy-Rn
13941000
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13941000&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
268.180 g/mol
XLogP3
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
Rotatable Bond Count
3
Exact Mass
267.965 Da
Monoisotopic Mass
267.965 Da
Topological Polar Surface Area
140.000 Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
399.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
2
Citations of This Product
1.
Cong Li, Chang Li, Le Sun, Pushuang Xing, Ronglan Zhang.
(2024)
Three-layer coated composite materials PMoV2@UiO-66-X@mSiO2: Efficient oxidative desulfurization catalysts. JOURNAL OF INDUSTRIAL AND ENGINEERING CHEMISTRY,
132
(561).
2.
Guozhi Fan, Yi Chen, Yuchan Lu, Qunpeng Cheng, Bo Chai, Guangsen Song.
(2023)
Co-production of 5-hydroxymethyl furfural and furfural from holocellulose over UiO-66-derived acid-base catalysts. CHEMICAL ENGINEERING SCIENCE,
276
(118768).
3.
Yan Yin, Yueyang Xu, Konglu Guo, Peng Zhang, Yongping Zeng.
(2022)
Adsorptive desulfurization using Cu+ modified UiO-66(Zr) via ethanol vapor reduction. Journal of Environmental Chemical Engineering,
10
(108578).
4.
Konglu Guo, Yueyang Xu, Yan Yin, Yongping Zeng.
(2022)
Enhanced adsorption desulfurization performance of Cu+-exchanged UiO-66(Zr) with hierarchical porous structure. COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS,
648
(129191).
5.
Luxin Zhang, Yuting Liu, Ruijun Sun, Simin Yi.
(2021)
Sulfonic acid-functionalized PCP(Cr) catalysts with Cr3+ and –SO3H sites for 5-ethoxymethylfurfural production from glucose. RSC Advances,
11
(54):
(33969-33979).
6.
Peng Zhang, Yueyang Xu, Konglu Guo, Yan Yin, Jilong Wang, Yongping Zeng.
(2021)
Hierarchical-pore UiO-66 modified with Ag+ for π-complexation adsorption desulfurization. JOURNAL OF HAZARDOUS MATERIALS,
418
(126247).
7.
Likang Fu, Shixing Wang, Guo Lin, Libo Zhang, Qiming Liu, Ju Fang, Chenhuinan Wei, Gang Liu.
(2019)
Post-functionalization of UiO-66-NH2 by 2,5-Dimercapto-1,3,4-thiadiazole for the high efficient removal of Hg(II) in water. JOURNAL OF HAZARDOUS MATERIALS,
368
(42).
8.
Qingqing Zhang, Jie Zhang, Junjie Qiu, Chongchong Chen, Zhirong Yang, Wenpeng Li, Mingchao Wang, Tengfei Li, Wenjia Wu, Jingtao Wang.
(2024)
Detecting the Conduction Property of Proton Carriers at Different Relative Humidity Based on Postsynthetic MOF Nanosheets. ACS Applied Materials & Interfaces,
16
(49):
(67697-67705).
9.
Yongqi Wang, Rongwei Huang, Zhaojun Chen, Yiwei Yu, Ziyi Zhu, Feng Liu, Yiyong Zhang, Xue Li.
(2025)
Enhancing ionic conductivity and expanding the electrochemical window in polymer electrolytes via ferroelectric-metal-organic-frameworks to manipulate charge spatial distribution. JOURNAL OF COLLOID AND INTERFACE SCIENCE,
685
(437).
10.
Jiali Zheng, Zhihui Li, Dongsheng Zhang, Xinqiang Zhao, Qian Zhao, Yanji Wang.
(2025)
IL/MIL-101-NH2 heterogeneous catalyst prepared by acid-base self-assembly for hydrodeoxygenation of 2,5-tetrahydrofurandicarboxylic acid to adipic acid. CATALYSIS TODAY,
446
(115114).
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10 Citations
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