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5-Sulfoisophthalic acid sodium salt - 98%, high purity , CAS No.6362-79-4

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5-Sulfoisophthalic acid sodium salt - 98%, high purity , CAS No.6362-79-4

7 Citations

COA

Grade & Purity:

≥98%

Cas Number: 6362-79-4
Molecular Weight: 268.18
Beilstein Registry Number: 11407
EC Number: 228-845-2
MDL number: MFCD00007495
PubChem CID: 23670844
PubChem SID: 488200447

In stock

Item Number

S115342

Grouped product items
SKU	Size	Availability	Price
S115342-25g	25g	7	$15.90
S115342-100g	100g	9	$54.90
S115342-500g	500g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$89.90

View related series

Carbonyl compound (2335) Sulfur containing compounds (986)

Basic Description

Synonyms	AKOS015963289 \| Benzene-1,3-dicarboxylic acid, 5-sulfo-, monosodium salt \| A868087 \| AS-14124 \| Sodium hydrogen-5-sulphoisophthalate \| sodium;3,5-dicarboxybenzenesulfonate \| Tox21_200715 \| FT-0620776 \| Kyselina 3,5-dikarboxybenzensulfonova sodny [Czech] \|
Specifications & Purity	≥98%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

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	M-phthalic acid and derivatives Benzoic acids Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds Benzoyl derivatives Dicarboxylic acids and derivatives Sulfonyls Organosulfonic acids Carboxylic acids Organooxygen compounds Organic sodium salts Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	3-sulfobenzoic acid - Meta_phthalic_acid - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Benzoic acid or derivatives - Benzoic acid - 1-sulfo,2-unsubstituted aromatic compound - Benzoyl - Dicarboxylic acid or derivatives - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic alkali metal salt - Carboxylic acid derivative - Carboxylic acid - Organic oxide - Organic sodium salt - Organic oxygen compound - Hydrocarbon derivative - Organic salt - Organosulfur compound - Organooxygen compound - 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
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

Names and Identifiers

Pubchem Sid	488200447
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488200447
IUPAC Name	sodium;3,5-dicarboxybenzenesulfonate
INCHI	InChI=1S/C8H6O7S.Na/c9-7(10)4-1-5(8(11)12)3-6(2-4)16(13,14)15;/h1-3H,(H,9,10)(H,11,12)(H,13,14,15);/q;+1/p-1
InChIKey	YXTFRJVQOWZDPP-UHFFFAOYSA-M
Smiles	C1=C(C=C(C=C1C(=O)O)S(=O)(=O)[O-])C(=O)O.[Na+]
Isomeric SMILES	C1=C(C=C(C=C1C(=O)O)S(=O)(=O)[O-])C(=O)O.[Na+]
WGK Germany	2
RTECS	DB6030000
PubChem CID	23670844
Molecular Weight	268.18
Beilstein	11407
Reaxy-Rn	4170770

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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9 results found

Lot Number	Certificate Type	Date	Item
E2009106	Certificate of Analysis	Feb 26, 2024	S115342
I1508086	Certificate of Analysis	May 06, 2023	S115342
I2220594	Certificate of Analysis	Jul 18, 2022	S115342
I2220608	Certificate of Analysis	Jul 18, 2022	S115342
I2220595	Certificate of Analysis	Jul 18, 2022	S115342
I2220609	Certificate of Analysis	Jul 18, 2022	S115342
E2513006	Certificate of Analysis	Jul 18, 2022	S115342
D23261088	Certificate of Analysis	Nov 29, 2021	S115342
D23261108	Certificate of Analysis	Nov 29, 2021	S115342

Chemical and Physical Properties

Solubility	Soluble in water.
Melt Point(°C)	373-375°C
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 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	377.000
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

How to Cite Aladdin Scientific Products?

1. Shi-Xian Zhang, Xiao-Li Wu, Tong-Hui Hao, Guo-Hua Hu, Tao Jiang, Qun-Chao Zhang, Hui Zhao. (2018) Structure design, fabrication and property investigation of water-based polyesters with notable surface hydrophilicity. NEW JOURNAL OF CHEMISTRY, 42 (24): (20015-20023).
2. Hongyan Si, He Liu, Shibin Shang, Jie Song, Shengliang Liao, Dan Wang, Zhanqian Song. (2016) Preparation and properties of maleopimaric acid-based polyester polyol dispersion for two-component waterborne polyurethane coating. PROGRESS IN ORGANIC COATINGS, 90 (309).
3. Yiming Xiao, Haoran Chen, Xiaoyu Shen, Yuanyuan Li, Lei Zhang, Penggao Cheng, Huaiyuan Han, Na Tang. (2024) Construction of wide-temperature-range proton exchange membrane by regulating proton transfer channels based on phosphate-functionalized carbon nanotubes. JOURNAL OF MEMBRANE SCIENCE, 709 (123077).
4. Cuicui Li, Tongtong Gao, Wanzhen Wu, Xinpu Zhou, Shuyu Zhang, Guangpeng Ma, Xianfeng Guan, Shuang Wang. (2025) Enhanced proton conductivity of main/side chain bi-sulfonated polybenzimidazoles via embedment of fluorinated modified MOF-801 for vanadium redox flow batteries. JOURNAL OF COLLOID AND INTERFACE SCIENCE, 686 (722).
5. Haiwei Liu, Pengfei Shan, Yingwen Lu, Xiaoyue Lian, Feng He, Jinxiang Xiao, Linan Qiu, Zhenghao Liu, Zuobin Gan, Qingshan Yan, Yupeng Qiu, Wenwen Lin, Qianxin Hao, Honglei Wang, Jianyu Su, Zhongyu Li, Zhihui Li. (2024) Heparin mimicking sulfonated polyester synergistically promotes bacterial Infected-Wound healing with ROS responsive cinnamaldehyde based prodrugs. CHEMICAL ENGINEERING JOURNAL, 495 (153513).
6. Jie Wang, Jin Xu, Jiugang Yuan, Xuerong Fan. (2024) Hydrolysis rate and mechanism of water-dispersed polyesters with different sulfonate group contents in the cutinase-catalyzed system. INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES, 283 (137775).
7. Cuicui Li, Tongtong Gao, Wanzhen Wu, Xinpu Zhou, Shuyu Zhang, Guangpeng Ma, Xianfeng Guan, Shuang Wang. (2024) Low Permeability Membrane Regulated by Main/Side-Chain Bisulfonated Polybenzimidazole and CAU-10-H for Vanadium Redox Flow Batteries. ACS Applied Energy Materials, 7 (17): (7534-7544).

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