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5-Sulfosalicylic acid dihydrate - BioReagent, ≥99%, high purity , CAS No.5965-83-3
Basic Description
Specifications & Purity
BioReagent, ≥99%
Storage Temp
Room temperature
Shipped In
Normal
Grade
BioReagent
Product Description
5-Sulfosalicylic acid dihydrate is a poly functional metal chelating agent. Within industry, it is used in the manufacture of organic catalysts and grease additives. Additionally, it serves as a colorimetric reagent for the detection of ferric ions, producing a violet color. This characteristic is particularly valuable for quantifying the amount of albumin in urine.
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
Sulfosalicylic acids and derivatives Salicylic acids Benzoic acids Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Sulfonyls Organosulfonic acids Monocarboxylic acids and derivatives Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
3-sulfobenzoic acid - Sulfosalicylic acid or derivatives - Hydroxybenzoic acid - Salicylic acid or derivatives - Salicylic acid - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Benzoic acid or derivatives - Benzoic acid - Arylsulfonic acid or derivatives - Benzoyl - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Vinylogous acid - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organosulfur compound - Organic oxide - 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
IUPAC Name
2-hydroxy-5-sulfobenzoic acid;dihydrate
INCHI
InChI=1S/C7H6O6S.2H2O/c8-6-2-1-4(14(11,12)13)3-5(6)7(9)10;;/h1-3,8H,(H,9,10)(H,11,12,13);2*1H2
InChIKey
BHDKTFQBRFWJKR-UHFFFAOYSA-N
Smiles
C1=CC(=C(C=C1S(=O)(=O)O)C(=O)O)O.O.O
Isomeric SMILES
C1=CC(=C(C=C1S(=O)(=O)O)C(=O)O)O.O.O
WGK Germany
3
Alternate CAS
97-05-2
PubChem CID
2723734
Molecular Weight
254.21
Beilstein
650741
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
H 2 O: 1 M, clear, colorless
Melt Point(°C)
106 - 110 °C
Molecular Weight
254.220 g/mol
XLogP3
Hydrogen Bond Donor Count
5
Hydrogen Bond Acceptor Count
8
Rotatable Bond Count
2
Exact Mass
254.01 Da
Monoisotopic Mass
254.01 Da
Topological Polar Surface Area
122.000 Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
316.000
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
3
Citations of This Product
1.
Zhijian Zha, Ruihua Wang, Qian Wang, Fahui Chen, Ziyang Ye, Yafeng Li.
(2024)
A fast and efficient liquid chromatography–tandem mass spectrometry method for measuring l- and d-amino acids in the urine of patients with immunoglobulin A nephropathy. BIOMEDICAL CHROMATOGRAPHY,
38
(6):
(e5866).
2.
Sijia Yang, Xiao Song, Ran Wei, Chuanjiang Zhou, Zhaoqiang Wu, Hong Chen.
(2025)
A Transparent, Abrasion-Resistant Anti-Fog Coating on Glass Substrates. JOURNAL OF APPLIED POLYMER SCIENCE,
(e56818).
3.
Mengwan Li, Dan Liu, Tingting Han, Juan Li, Linbo Chen, Daxiang Li, Zhongwen Xie.
(2024)
Comparative investigation of metabolite signatures and hypoadiposity effect between Dali tea and Yunkang tea. Food Chemistry-X,
(101989).
4.
Yuan Jing-Bo, Feng Zhi-Hong, Li Dong-Chan, Luo Yang, Zhou Yun-Lei.
(2024)
Epidermal visualized health monitoring system based on stretchable and washable TPU hybrid conductive microtextiles. RARE METALS,
43
(7):
(3185-3193).
5.
Fang Li, Nuotong Shen, Qingcheng Li, Chen Yang, Limin Zhang, Mingjin Wang.
(2025)
Multiplexed microfluidic chip based flow injection analysis system for simultaneous determination of Fe(III), Mn(II) and Cu(II). MICROCHEMICAL JOURNAL,
208
(112346).
6.
Jing Lv, Hui Ye, Guodong Yang, Shurui Han, Han Zhang, Yuzhong Zhang.
(2025)
Porous fluorine-cerium nanosheets anchored with FeOOH quantum dots for synergistic enhanced visible-light-driven photo-Fenton degradation of phenol. JOURNAL OF COLLOID AND INTERFACE SCIENCE,
679
(619).
7.
Tianlei Yang, Tao Li, Yueping Guan.
(2024)
Preparation of magnetic oil-based gel microspheres containing di(2-ethylhexyl)phosphoric acid for extraction of scandium ions at low concentrations in aqueous solutions. SEPARATION AND PURIFICATION TECHNOLOGY,
336
(126270).
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7 Citations