2-Sulfoterephthalic Acid Monosodium Salt - ≥98%(HPLC) , CAS No.19089-60-2

CAS: 19089-60-2 Cat. No.: M158296 Peso molecular: 268.17 Número EC: 678-478-0

GRADE & PURITY ≥98%(HPLC)

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

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

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

Especificaciones y pureza

≥98%(HPLC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Tipo de acción

INHIBITOR

Pureza

≥98%(HPLC)

Nombres e identificadores

• Pubchem Sid: 488201071
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488201071
• Sonrisas canónicas: C1=CC(=C(C=C1C(=O)O)S(=O)(=O)O)C(=O)[O-].[Na+]
• IUPAC Name: sodium;4-carboxy-2-sulfobenzoate
• InChIKey: JARIJYUQOKFVAJ-UHFFFAOYSA-M
• 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
• Isómeros SMILES: C1=CC(=C(C=C1C(=O)O)S(=O)(=O)O)C(=O)[O-].[Na+]
• Peso molecular: 268.17
• Reaxy-Rn: 13941000
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13941000&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzenesulfonic acids and derivatives
        • Level5 Sulfobenzoic acids
          • Level6 3-sulfobenzoic acids

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: 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
• Descripción: 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.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Peso molecular: 268.180 g/mol
• 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

XLogP3

Referencias

1. Cong Li, Chang Li, Le Sun, Pushuang Xing, Ronglan Zhang.  (2023)  Three-layer coated composite materials PMoV2@UiO-66-X@mSiO2: Efficient oxidative desulfurization catalysts.  JOURNAL OF INDUSTRIAL AND ENGINEERING CHEMISTRY,      [PMID:] [10.1016/j.jiec.2023.11.051]

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,      [PMID:] [10.1016/j.ces.2023.118768]

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,      [PMID:] [10.1016/j.jece.2022.108578]

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,      [PMID:] [10.1016/j.colsurfa.2022.129191]

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).  [PMID:35497290] [10.1039/D1RA05103B]

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,      [PMID:34119977] [10.1016/j.jhazmat.2021.126247]

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,      [PMID:30665107] [10.1016/j.jhazmat.2019.01.025]

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,      [PMID:39591662] [10.1021/acsami.4c13776]

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,      [PMID:39855089] [10.1016/j.jcis.2025.01.150]

10. Jiali Zheng, Zhihui Li, Dongsheng Zhang, Xinqiang Zhao, Qian Zhao, Yanji Wang.  (2024)  IL/MIL-101-NH2 heterogeneous catalyst prepared by acid-base self-assembly for hydrodeoxygenation of 2,5-tetrahydrofurandicarboxylic acid to adipic acid.  CATALYSIS TODAY,      [PMID:] [10.1016/j.cattod.2024.115114]

11. Lin Chen, Zhenyu Mao, Yi Ma, Huibo Luo, Suyi Zhang, Danqun Huo, Changjun Hou.  (2023)  A three-modal fluorescent sensor harnessing diverse luminescent mechanisms for the purpose of segmented Baijiu identification.  FOOD CHEMISTRY,      [PMID:38266410] [10.1016/j.foodchem.2023.138316]

12. Heng Li, Chengzhong Zhang, Yuhang Jiang, Wenwu Ni, Mingshuo Li, Jing Wang.  (2025)  UiO-66-SO3H@nylon-6 Membrane for Rapid Adsorption and Removal of Rhodamine B (RhB) from Aqueous Solutions.  LANGMUIR,      [PMID:40514765] [10.1021/acs.langmuir.5c01157]

13. Dan Yang, Yingxiang Dong, Jiahao Zhang, Sijie Yang, Ruijie Lu, Ziqing Liu, Biao Xiong, De-Shan Bin, Jizhuang Wang, Yin Ning, Dan Li.  (2025)  Fusion Assembly of Diblock Copolymer Nanoparticles at Liquid–Solid Interface.  MACROMOLECULES,      [PMID:] [10.1021/acs.macromol.5c02832]

14. Dengke Li, Hongyu Jia, Fengbing Liang, Dexin Feng.  (2026)  Efficient and Sustainable Synthesis of Biobased 8-Hydroxyquinoline with the Heterogeneous Catalytic System in Aqueous Media.  ACS Sustainable Chemistry & Engineering,      [PMID:] [10.1021/acssuschemeng.5c12609]