Cas no 533-73-3 (1,2,4-Benzenetriol)
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:
- 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:
- 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:
2907299090Overview:
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 goodsInspection 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 inspectionSummary:
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 >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | B802468-500g |
1,2,4-Benzenetriol |
533-73-3 | 97% | 500g |
3,160.00 | 2021-05-17 | |
| SHANG HAI SHAO YUAN SHI JI Co., Ltd. | SY004215-5g |
1,2,4-Trihydroxybenzene |
533-73-3 | >95% | 5g |
¥45.0 | 2022-06-13 | |
| SHANG HAI SHAO YUAN SHI JI Co., Ltd. | SY004215-10g |
1-(1,4-Dioxaspiro[4.5]decan-2-ylmethyl)guanidine Sulfate |
533-73-3 | >95% | 10g |
¥65.0 | 2022-06-13 | |
| SHANG HAI SHAO YUAN SHI JI Co., Ltd. | SY004215-25g |
(E)-1,3-Diiodo-2-butene |
533-73-3 | >95% | 25g |
¥150.0 | 2022-06-13 | |
| SHANG HAI SHAO YUAN SHI JI Co., Ltd. | SY004215-100g |
1,2,4-Trihydroxybenzene |
533-73-3 | >95% | 100g |
¥292.00 | 2024-07-09 | |
| TRC | B189800-10mg |
1,2,4-Benzenetriol |
533-73-3 | 10mg |
$ 69.00 | 2023-04-19 | ||
| TRC | B189800-1g |
1,2,4-Benzenetriol |
533-73-3 | 1g |
$ 80.00 | 2023-04-19 | ||
| TRC | B189800-5g |
1,2,4-Benzenetriol |
533-73-3 | 5g |
$ 261.00 | 2023-04-19 | ||
| TRC | B189800-25g |
1,2,4-Benzenetriol |
533-73-3 | 25g |
$ 917.00 | 2023-04-19 | ||
| ChemScence | CS-W011167-25g |
1,2,4-Trihydroxybenzene |
533-73-3 | 99.12% | 25g |
$40.0 | 2022-04-27 |
1,2,4-Benzenetriol Suppliers
1,2,4-Benzenetriol Related Literature
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Henry Chin,Katherine S. Hopstock,Lauren T. Fleming,Sergey A. Nizkorodov,Hind A. Al-Abadleh Environ. Sci.: Atmos. 2021 1 64
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Qiong Wu,Baozheng Zhao,Shiwei Liu,Shitao Yu,Lang Huang,Arthur J. Ragauskas Catal. Sci. Technol. 2020 10 3423
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K. Y. Tang,C. H. Yu,L. Jiang,M. Gong,W. J. Liu,Y. Wang,N. X. Cui,W. Song,Y. Sun,Z. C. Yi Toxicol. Res. 2016 5 1284
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4. Photolysis of aqueous solutions of p-benzoquinone: a spectrophotometric investigationK. C. Kurien,P. A. Robins J. Chem. Soc. B 1970 855
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Related Categories
- Solvents and Organic Chemicals Organic Compounds Benzenoids Phenols Hydroxyquinols and derivatives
- Solvents and Organic Chemicals Organic Compounds Benzenoids Phenols Benzenetriols and derivatives Hydroxyquinols and derivatives
- Solvents and Organic Chemicals Organic Compounds Alcohol/Ether
- Solvents and Organic Chemicals Organic Compounds Hydrocarbons
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..................
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