2,3,4-Trihydroxybenzoic acid Hydrate - 10mM in DMSO , CAS No.610-02-6

CAS: 610-02-6 Cat. No.: T425050 Molecular Weight: 170.12(as Anhydrous) Beilstein Registry Number: 2210807 EC Number: 210-205-9 PubChem CID: 11874

GRADE & PURITY 10mM in DMSO

Synonyms

UNII-AD1ID2JF5O | 2,3,4-Trihydroxybenzoic acid, 97% | S12282 | s6018 | BDBM50205386 | AS-8189 | F1995-0241 | Pyrogallol-4-carboxylic acid | Benzoic acid, trihydroxy- | InChI=1/C7H6O5/c8-4-2-1-3(7(11)12)5(9)6(4)10/h1-2,8-10H,(H,11,12 | 2,4-Trihydroxybenzen

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

Product Application:

2,3,4-Trihydroxybenzoic acid has been used as:

reagent during catalytic spectrophotometric determination of vanadium in natural and sea waters.

internal standard in separation of phenolic acids by HPLC with photodiode array detection.

Product Describtion:

DPPH radical-scavenging ability of 2,3,4-trihydroxybenzoic acid has been evaluated.

Specifications

Synonyms

UNII-AD1ID2JF5O | 2, 3, 4-Trihydroxybenzoic acid, 97% | S12282 | s6018 | BDBM50205386 | AS-8189 | F1995-0241 | Pyrogallol-4-carboxylic acid | Benzoic acid, trihydroxy- | InChI=1/C7H6O5/c8-4-2-1-3(7(11)12)5(9)6(4)10/h1-2, 8-10H, (H, 11, 12 | 2, 4-Trihydroxybenzen

Specifications & Purity

10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

• Canonical Smiles: C1=CC(=C(C(=C1C(=O)O)O)O)O
• IUPAC Name: 2,3,4-trihydroxybenzoic acid
• InChIKey: BRRSNXCXLSVPFC-UHFFFAOYSA-N
• INCHI: 1S/C7H6O5/c8-4-2-1-3(7(11)12)5(9)6(4)10/h1-2,8-10H,(H,11,12)
• Isomeric SMILES: C1=CC(=C(C(=C1C(=O)O)O)O)O
• WGK Germany: 3
• RTECS: DH8900000
• PubChem CID: 11874
• Molecular Weight: 170.12(as Anhydrous)
• Beilstein: 2210807
• Reaxy-Rn: 2210807

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Hydroxybenzoic acid derivatives
          • Level6 Salicylic acid and derivatives
            • Level7 Salicylic acids

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Hydroxybenzoic acid derivatives - Salicylic acid and derivatives
• Direct Parent: Salicylic acids
• Alternative Parents: Benzoic acids 5-unsubstituted pyrrogallols Benzoyl derivatives 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Polyols Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Salicylic acid - 5-unsubstituted pyrrogallol - Benzenetriol - Benzoic acid - Pyrogallol derivative - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Vinylogous acid - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Polyol - Organic oxygen compound - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as salicylic acids. These are ortho-hydroxylated benzoic acids.
• External Descriptors: a small molecule

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

Associated Targets(Human)

SELL Tchem Leukocyte adhesion molecule-1 (145 Activities)

Discover Target: SELL

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HL-60 (67320 Activities)

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Associated Targets(non-human)

Sele Selectin E (1 Activities)

Discover Target: Sele

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Selp P-selectin (7 Activities)

Discover Target: Selp

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Vibrio harveyi (399 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Melt Point(°C): 205°C
• Molecular Weight: 170.120 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 170.022 Da
• Monoisotopic Mass: 170.022 Da
• Topological Polar Surface Area: 98.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 181.000
• 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: 1

References

1. Chen Zhiping, Xie Zhen, Lu Qin, Tian Lingli, Meng Yu, Xue Yichun, Zhu Hongxiang, Wang Lei, He Hui.  (2025)  Robust self-pumping medical microneedle arrays by nanofiber-reinforced non-covalent cooperative networks.  Advanced Composites and Hybrid Materials,  8  (5): (1-24).  [PMID:] [10.1007/s42114-025-01453-4]

2. Mei-Yu Xu, Zeng-Ni Xiang, Zhong-Mei Xian, Guang-Ming Liang, Hua-Hong Zou.  (2026)  Polyphenols-Stabilized Black Titanium-Oxo Cluster: Crystal Structure, DFT Calculations, and Photothermal Conversion.  CRYSTAL GROWTH & DESIGN,      [PMID:] [10.1021/acs.cgd.6c00185]