Cas no 533-73-3 (1,2,4-Benzenetriol)

1,2,4-Benzenetriol (CAS 533-73-3) is a trihydroxybenzene derivative with the molecular formula C?H?O?. This compound serves as a versatile intermediate in organic synthesis, particularly in the production of pharmaceuticals, agrochemicals, and specialty polymers. Its three hydroxyl groups provide multiple reactive sites for functionalization, enabling applications in crosslinking agents, antioxidants, and dye synthesis. 1,2,4-Benzenetriol exhibits reducing properties due to its phenolic structure, making it useful in redox reactions and as a stabilizer in industrial processes. It is also employed in biochemical research as a substrate for enzymatic studies. The compound is typically supplied as a crystalline solid with high purity, ensuring consistent performance in demanding applications. Proper handling is required due to its potential sensitivity to oxidation.
1,2,4-Benzenetriol structure
1,2,4-Benzenetriol structure
Product Name:1,2,4-Benzenetriol
CAS No:533-73-3
MF:C6H6O3
MW:126.1100
MDL:MFCD00002198
CID:38095
PubChem ID:10787
Update Time:2025-08-02

1,2,4-Benzenetriol Chemical and Physical Properties

Names and Identifiers

    • 1,2,4-Trihydroxybenzene
    • 1,2,4-Benzentril
    • 1,2,4-Benzenetriol
    • benzene-1,2,4-triol
    • Hydroxyhydroquinone
    • Hydroxyquinol
    • Oxyhydroquinone
    • 2,5-Dihydroxyphenol
    • Oxyhydrochinon
    • Hydroquinone, hydroxy-
    • 4-Hydroxycatechol
    • 1,3,4-Trihydroxybenzene
    • 1,3,4-Benzenetriol
    • Oxyhydrochinon [German]
    • GGNQRNBDZQJCCN-UHFFFAOYSA-N
    • 173O8B04RD
    • 1,4-Benzenetriol
    • Benzene-1,4-triol
    • monohydroxy hydroquinone
    • 1,4-Trihydroxybenzene
    • WLN:
    • MDL: MFCD00002198
    • Inchi: 1S/C6H6O3/c7-4-1-2-5(8)6(9)3-4/h1-3,7-9H
    • InChI Key: GGNQRNBDZQJCCN-UHFFFAOYSA-N
    • SMILES: O([H])C1C([H])=C(C([H])=C([H])C=1O[H])O[H]
    • BRN: 2042863

Computed Properties

  • Exact Mass: 126.03200
  • Monoisotopic Mass: 126.032
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 0
  • Complexity: 94.3
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: 16
  • XLogP3: 1.5
  • Topological Polar Surface Area: 60.7

Experimental Properties

  • Color/Form: Light brown powder
  • Density: 1.45 g/cm3 (20℃)
  • Melting Point: 140?°C (subl.) (lit.)
  • Boiling Point: 194.21°C (rough estimate)
  • Flash Point: 34.2℃
  • Refractive Index: 1.5627 (estimate)
  • Water Partition Coefficient: Soluble
  • PSA: 60.69000
  • LogP: 0.80340
  • Merck: 1073
  • Sensitiveness: Air Sensitive
  • Solubility: Soluble in water, ethanol, diethyl ether, ethyl acetate, almost insoluble in chloroform, carbon disulfide, benzene.

1,2,4-Benzenetriol Security Information

  • Symbol: GHS05 GHS07
  • Prompt:warning
  • Signal Word:Danger
  • Hazard Statement: H302,H315,H318,H335
  • Warning Statement: P261,P280,P305+P351+P338
  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3
  • Hazard Category Code: 22-37/38-41
  • Safety Instruction: S26-S39-S36/37/39-S22
  • RTECS:DC4200000
  • Hazardous Material Identification: Xn
  • TSCA:Yes
  • Storage Condition:Keep in dark place,Inert atmosphere,Room temperature(BD7864)
  • Risk Phrases:R20/21/22; R36/37/38
  • Safety Term:S22;S26;S36/37/39

1,2,4-Benzenetriol Customs Data

  • HS CODE:2907299090
  • Customs Data:

    China Customs Code:

    2907299090

    Overview:

    2907299090 Other polyphenols,Phenolic alcohol.Regulatory conditions:AB(Customs clearance form for Inbound Goods,Customs clearance form for outbound goods).VAT:17.0%.Tax refund rate:9.0%.MFN tariff:5.5%.general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Regulatory conditions:

    A.Customs clearance form for Inbound Goods
    B.Customs clearance form for outbound goods

    Inspection and quarantine category:

    R.Sanitary supervision and inspection of imported food
    S.Sanitary supervision and inspection of exported food
    M.Import commodity inspection
    N.Export commodity inspection

    Summary:

    2907299090 polyphenols; phenol-alcohols.supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward).VAT:17.0%.tax rebate rate:9.0%.MFN tariff:5.5%.general tariff:30.0%

1,2,4-Benzenetriol Pricemore >>

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1,2,4-Benzenetriol Suppliers

Suzhou Senfeida Chemical Co., Ltd
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(CAS:533-73-3)1,2,4-Benzenetriol
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Purity:99.9%
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Purity:99%
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Purity:99%
Pricing Information Last Updated:Monday, 2 September 2024 15:12
Price ($):478.0

1,2,4-Benzenetriol Related Literature

Additional information on 1,2,4-Benzenetriol

1,2,4-Benzenetriol: A Comprehensive Overview

1,2,4-Benzenetriol (CAS No. 533-73-3) is a versatile aromatic compound with three hydroxyl groups attached to a benzene ring. This compound has garnered significant attention in various fields due to its unique chemical properties and wide-ranging applications. In this article, we will delve into the structure, synthesis, properties, and applications of 1,2,4-benzenetriol, while incorporating the latest research findings to provide a comprehensive understanding of this intriguing molecule.

The molecular structure of 1,2,4-benzenetriol consists of a benzene ring with hydroxyl groups (-OH) at positions 1, 2, and 4. This arrangement imparts the compound with strong electron-donating properties due to the resonance effects of the hydroxyl groups. The molecule is highly polarizable and exhibits significant reactivity in both acidic and basic environments. Recent studies have highlighted its role as a key intermediate in the synthesis of advanced materials such as conductive polymers and metal-organic frameworks (MOFs). These findings underscore its importance in modern material science.

Synthesis and Characterization

The synthesis of 1,2,4-benzenetriol typically involves multi-step processes that include oxidation reactions or directed metallation strategies. One common method involves the oxidation of resorcinol derivatives using oxidizing agents like potassium permanganate or hydrogen peroxide under controlled conditions. Recent advancements in catalytic chemistry have enabled more efficient and selective syntheses of 1,2-benzenediols, which are precursors to 1,2,4-benzenetriol.

Characterization techniques such as nuclear magnetic resonance (NMR) spectroscopy and mass spectrometry are extensively used to confirm the structure and purity of 1,2,4-benzenetriol. High-resolution mass spectrometry (HRMS) has proven particularly useful in identifying isomeric forms and confirming molecular weights with high precision.

Chemical Properties and Reactivity

1,2,4-Benzenetriol exhibits exceptional reactivity due to the presence of three hydroxyl groups on the aromatic ring. These groups can participate in various chemical transformations such as nucleophilic substitution reactions and Diels-Alder reactions. Recent studies have demonstrated its ability to act as a reducing agent in organic synthesis pathways.

The compound also shows strong coordination abilities with transition metals such as copper and iron. This property has been exploited in the development of novel catalysts for industrial processes like oxidation reactions and hydrogenation.

Applications in Biomedical Fields

One of the most promising applications of 1,2,benzendiol triols lies in the biomedical sector. Research has shown that 1,2,benzendiol triols possess potent antioxidant properties that can combat oxidative stress in biological systems. This makes them potential candidates for use in anti-aging skincare products and treatments for neurodegenerative diseases.

In addition to their antioxidant properties,benzene triols derivatives have shown promise as anticancer agents. Preclinical studies indicate that certain derivatives can selectively target cancer cells while sparing healthy tissue.

Environmental Applications

Given its strong reducing properties,benzene triols derivatives like 1,benzendiol triols have found applications in environmental remediation processes such as water treatment.. Recent research has focused on their ability to remove heavy metal ions from contaminated water through chelation mechanisms..................

Recommended suppliers
Suzhou Senfeida Chemical Co., Ltd
(CAS:533-73-3)1,2,4-Benzenetriol
sfd18881
Purity:99.9%
Quantity:200kg
Price ($):Inquiry
Email
Tiancheng Chemical (Jiangsu) Co., Ltd
(CAS:533-73-3)1,2,4-Benzenetriol
LE16667;LE1692696
Purity:99%/99%
Quantity:25KG,200KG,1000KG/25KG,200KG,1000KG
Price ($):Inquiry/Inquiry
Email