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533-73-3,MFCD00002198
Catalog No.:AA003D8I

533-73-3 | 1,2,4-Benzenetriol

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10g
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25g
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  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003D8I
Chemical Name:
1,2,4-Benzenetriol
CAS Number:
533-73-3
Molecular Formula:
C6H6O3
Molecular Weight:
126.1100
MDL Number:
MFCD00002198
SMILES:
Oc1ccc(c(c1)O)O
NSC Number:
2818
Properties
Properties
 
BP:
194.21°C (rough estimate)  
Form:
Solid  
MP:
140 °C (subl.)(lit.)  
Refractive Index:
1.5627 (estimate)  
Stability:
Air Sensitive  
Storage:
Inert atmosphere;Room Temperature;  

Computed Properties
 
Complexity:
94.3  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
XLogP3:
1.5  

Upstream Synthesis Route

[1]JournalofPhotochemistryandPhotobiologyA:Chemistry,2018,vol.364,p.686-695

[1]Chemistry-AEuropeanJournal,2012,vol.18,#32,p.9901-9910

[2]CollectionofCzechoslovakChemicalCommunications,2012,vol.77,#5,p.370-378

[3]IndianJournalofChemistry-SectionBOrganicandMedicinalChemistry,2009,vol.48,#1,p.120-123

[4]IndianJournalofChemistry,SectionB:OrganicChemistryIncludingMedicinalChemistry,1992,vol.31,#9,p.628

[5]JournaloftheChemicalSociety,1935,p.1031

[6]JournaloftheIndianChemicalSociety,1987,vol.64,#12,p.745-752

[1]ZhurnalObshcheiKhimii,1955,vol.25,p.815,819;engl.Ausg.S.781,785

[1]Patent:WO2012/75053,2012,A2,

[1]JournaloftheChemicalSociety,1933,p.1073,1075

Downstream Synthesis Route

[1]ZhurnalObshcheiKhimii,1955,vol.25,p.815,819;engl.Ausg.S.781,785

[1]JournaloftheAmericanChemicalSociety,2002,vol.124,p.5926-5927

[2]MonatsheftefurChemie,1883,vol.4,p.176    MonatsheftefuerChemie,1884,vol.5,p.589

[3]Patent:WO2012/75053,2012,A2.Locationinpatent:Page/Pagecolumn77

[1]Patent:US2018/105544,2018,A1.Locationinpatent:Paragraph0095

[2]JournaloftheChemicalSociety,1934,p.1625,1628

[3]Patent:US2118141,1936,

[4]BiochemicalJournal,1939,vol.33,p.1452,1454

[5]Tetrahedron,1994,vol.50,p.6377-6386

[6]EuropeanJournalofOrganicChemistry,2008,p.3544-3551

[1]JournaloftheChemicalSociety,1933,p.1073,1075

[1]Chemistry-AEuropeanJournal,2012,vol.18,p.9901-9910

[2]CollectionofCzechoslovakChemicalCommunications,2012,vol.77,p.370-378

[3]IndianJournalofChemistry-SectionBOrganicandMedicinalChemistry,2009,vol.48,p.120-123

[4]IndianJournalofChemistry-SectionBOrganicandMedicinalChemistry,1992,vol.31,p.628

[5]JournaloftheChemicalSociety,1935,p.1031

[6]JournaloftheIndianChemicalSociety,1987,vol.64,p.745-752

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Title: A combination of the micronucleus assay and a FISH technique for evaluation of the genotoxicity of 1,2,4-benzenetriol.

Journal: Mutation research 20020426

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Journal: Journal of toxicology and environmental health. Part A 20020301

Title: Effect of food reductones, 2,5-dimethyl-4-hydroxy-3(2H)-furanone (DMHF) and hydroxyhydroquinone (HHQ), on lipid peroxidation and type IV and I allergy responses of mouse.

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Title: DNA breakage induced by 1,2,4-benzenetriol: relative contributions of oxygen-derived active species and transition metal ions.

Journal: Free radical biology & medicine 20010501

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Title: Plasmid-encoded degradation of p-nitrophenol and 4-nitrocatechol by Arthrobacter protophormiae.

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Journal: Journal of applied toxicology : JAT 19960101

Title: Topoisomerase inhibition by phenolic metabolites: a potential mechanism for benzene's clastogenic effects.

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Title: Biodegradation of p-nitrophenol via 1,2,4-benzenetriol by an Arthrobacter sp.

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Title: Effects of benzene on DNA strand breaks in vivo versus benzene metabolite-induced DNA strand breaks in vitro in mouse bone marrow cells.

Journal: Toxicology and applied pharmacology 19910501

Title: Multiple activation pathways of benzene leading to products with varying genotoxic characteristics.

Journal: Environmental health perspectives 19890701

Title: Characterization of the pyrogallol-phloroglucinol isomerase of Eubacterium oxidoreducens.

Journal: Journal of bacteriology 19880601

Title: Toxic effects of benzene and benzene metabolites on mononuclear phagocytes.

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Title: Risa Kamae, et al. Hydroxyhydroquinone, a by-product of coffee bean roasting, increases intracellular Ca2+ concentration in rat thymic lymphocytes. Food Chem Toxicol. 2017 Apr;102:39-45.

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Tags:533-73-3 Molecular Formula|533-73-3 MDL|533-73-3 SMILES|533-73-3 1,2,4-Benzenetriol |Organic_Building_Blocks