1,2,4-Benzenetriol - Moligand™,≥97% , CAS No.533-73-3

CAS: 533-73-3 Cat. No.: B107437 Molecular Weight: 126.11 Beilstein Registry Number: 61087 EC Number: 208-575-1

GRADE & PURITY Moligand™, ≥97%

Synonyms

WLN: QR BQ DQ | AKOS015889832 | 4-Hydroxycatechol | Q903332 | AI3-19361 | HY-W010451 | MFCD00002198 | 1,2,4-trihydroxy benzene | C02814 | FT-0606254 | A829550 | Oxyhydrochinon [German] | CHEBI:16971 | InChI=1/C6H6O3/c7-4-1-2-5(8)6(9)3-4/h1-3,7-9 | PD15827

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

WLN: QR BQ DQ | AKOS015889832 | 4-Hydroxycatechol | Q903332 | AI3-19361 | HY-W010451 | MFCD00002198 | 1, 2, 4-trihydroxy benzene | C02814 | FT-0606254 | A829550 | Oxyhydrochinon [German] | CHEBI:16971 | InChI=1/C6H6O3/c7-4-1-2-5(8)6(9)3-4/h1-3, 7-9 | PD15827

Specifications & Purity

Moligand™, ≥97%

Storage

Store at 2-8°C, Protected from light, Argon charged

Shipped In

Wet ice

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

Grade

Moligand™

Action Type

ACTIVATOR

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504752002
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752002
• Canonical Smiles: C1=CC(=C(C=C1O)O)O
• IUPAC Name: benzene-1,2,4-triol
• InChIKey: GGNQRNBDZQJCCN-UHFFFAOYSA-N
• INCHI: 1S/C6H6O3/c7-4-1-2-5(8)6(9)3-4/h1-3,7-9H
• Isomeric SMILES: C1=CC(=C(C=C1O)O)O
• WGK Germany: 3
• RTECS: DC4200000
• Molecular Weight: 126.11
• Beilstein: 61087
• Reaxy-Rn: 2042863
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2042863&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Phenols
      • Subclass Benzenetriols and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Phenols
• Subclass: Benzenetriols and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroxyquinols and derivatives
• Alternative Parents: 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Polyols Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Hydroxyquinol derivative - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Polyol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as hydroxyquinols and derivatives. These are compounds containing a 1,2,4-trihydroxybenzene moiety.
• 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)

CA2 Tclin Carbonic anhydrase II (17698 Activities)

Discover Target: CA2

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

CA1 Tclin Carbonic anhydrase I (13240 Activities)

Discover Target: CA1

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

IDO1 Tchem Indoleamine 2,3-dioxygenase (6650 Activities)

Discover Target: IDO1

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

Associated Targets(non-human)

Klebsiella pneumoniae (43867 Activities)

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Staphylococcus aureus (210822 Activities)

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Escherichia coli (133304 Activities)

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Bacillus subtilis (32866 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water.
• Sensitivity: Air sensitive.Light sensitive.
• Melt Point(°C): 138.0-145.0°C
• Molecular Weight: 126.110 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 126.032 Da
• Monoisotopic Mass: 126.032 Da
• Topological Polar Surface Area: 60.700 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 94.300
• 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. Min Zhao, Ting Li, Yizhan Zhang, Jiaming Gan, Yiting Zhao, Xin Yu, Lei Wang.  (2023)  Kinetic modeling and mechanisms of parahalogenated phenols degradation by UV222/H2O2.  Journal of Cleaner Production,      [PMID:] [10.1016/j.jclepro.2023.140255]

2. Wu Tong, Guo Sheng-Zhi, Zhu Hai-Zhen, Yan Lei, Liu Zhi-Pei, Li De-Feng, Jiang Cheng-Ying, Corvini Philippe François-Xavier, Shen Xi-Hui, Liu Shuang-Jiang.  (2023)  The sulfonamide-resistance dihydropteroate synthase gene is crucial for efficient biodegradation of sulfamethoxazole by Paenarthrobacter species.  APPLIED MICROBIOLOGY AND BIOTECHNOLOGY,  107  (18): (5813-5827).  [PMID:37439835] [10.1007/s00253-023-12679-x]

3. Yuhua Zhang, Jiayi Jiang, Ningbo Qin, Qian Zhang, Chunyan Yan.  (2019)  Biotransformation of 4-methylcoumarins by cambial meristematic cells of Camptotheca acuminata.  RSC Advances,  9  (17): (9449-9456).  [PMID:35520693] [10.1039/C9RA00522F]

4. Mingliang Zhang, Weihao Zhu, Hongfei Liu, Kaihua Pan, Qian Li, Qian Zhu, Yanni Huang, Changchang Wang, Junqiang Hu, Mingli Jiang, Xin Yan, Qing Hong.  (2024)  Unveiling the analgesic and antipyretic drug acetaminophen catabolic mechanism in Pseudomonas taiwanensis AP-1.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:39471631] [10.1016/j.jhazmat.2024.136281]

5. Zeyu Chen, Bo Pang, Fujun Cui, Li Tian, Wanting Chen, Xuemei Wu, Xiaoming Yan, Gaohong He.  (2025)  Vanadium ion recognition by ortho-phenol side chain to improve ion selective conduction for vanadium redox flow battery.  JOURNAL OF MEMBRANE SCIENCE,      [PMID:] [10.1016/j.memsci.2025.123783]

6. Lu Li, Tiantian Meng, Wanbin Zhang, Ying Su, Juan Wei, Xinwei Shi, Guanghua Zhang.  (2020)  Selective and Colorimetric Detection of p-Nitrophenol Based on Inverse Opal Polymeric Photonic Crystals.  Polymers,  12  (1): (83).  [PMID:31947751] [10.3390/polym12010083]

7. Zhiqiang Zhao, Zehui Gao, Chongjun Liu, Yangge Zhu, Xubo Chen.  (2025)  Selective depression of copper-activated arsenopyrite using a novel organic small-molecule depressant, 1,2,4-benzenetriol, for sphalerite flotation separation.  MINERALS ENGINEERING,      [PMID:] [10.1016/j.mineng.2025.110011]

8. Zhima Yangcuo, Xiaodan Zheng, Yajuan Zhang, Xin Yang, Xinyi Zheng, Hang Zhu, Wenhui Chen, Qihong Cai.  (2026)  A new second-order derivative synchronous fluorescence spectrometry for simultaneous and rapid determination of ultratrace 1-naphthol and 2-naphthol in wastewater.  SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,      [PMID:41797160] [10.1016/j.saa.2026.127649]