p-Benzoquinone dioxime - technical grade, ≥90%(TLC) , CAS No.105-11-3

CAS: 105-11-3 Cat. No.: P476965 Fórmula: C₆H₆N₂O₂ Peso molecular: 138.12 Beilstein Registry Number: 2043234 Número CE: 203-271-5

GRADE & PURITY Technical grade, ≥90%(TLC)

Synonyms

NSC14433 | NSC-14433 | Vulnoc GM | (1Z,4Z)-cyclohexa-2,5-diene-1,4-dione dioxime | AKOS015901106 | BENZOQUINONE DIOXIME, P- | B0090 | C19345 | DTXCID901222 | N-(4-nitrosophenyl)hydroxylamine | NCGC00248444-01 | p-Quinone oxime | SCHEMBL93568 | DTXSID80212

Storage

Room temperature

Visão geral

Description

The electrochemical behaviour ofp-benzoquinone dioxime on modified Pt electrodes has been studied in aqueous HClO4solutions by employing cyclic voltammetric and rotating-disc or ring-disc techniques.p-Benzoquinone dioxime was used in oxidative regeneration of a variety of carbonyl compounds from their oximes using superoxide ion generatedin situby the phase transfer reaction between potassium superoxide and 18-crown-6.

Specifications

Sinónimos

NSC14433 | NSC-14433 | Vulnoc GM | (1Z,4Z)-cyclohexa-2,5-diene-1,4-dione dioxime | AKOS015901106 | BENZOQUINONE DIOXIME, P- | B0090 | C19345 | DTXCID901222 | N-(4-nitrosophenyl)hydroxylamine | NCGC00248444-01 | p-Quinone oxime | SCHEMBL93568 | DTXSID80212

Especificações e pureza

technical grade, ≥90%(TLC)

Condições de armazenamento de armazenamento

Room temperature

Grau

Technical grade

Pureza

≥90%(TLC)

Nomes e identificadores

• Pubchem Sid: 528768722
• Sorrisos canónicos: C1=CC(=CC=C1NO)N=O
• IUPAC Name: N-(4-nitrosophenyl)hydroxylamine
• InChIKey: DZCCLNYLUGNUKQ-UHFFFAOYSA-N
• INCHI: 1S/C6H6N2O2/c9-7-5-1-2-6(8-10)4-3-5/h1-4,7,9H
• SMILES isoméricas: C1=CC(=CC=C1NO)N=O
• WGK Alemanha: 3
• RTECS: DK4900000
• Número UN: 1325
• Grupo de embalagem: II
• Peso molecular: 138.12
• Beilstein: 2043234
• Reaxy-Rn: 55230752
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=55230752&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe N-phenylhydroxylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: N-phenylhydroxylamines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: N-phenylhydroxylamines
• Alternative Parents: Arylhydroxamates 1-hydroxylamino, 2-unsubstituted benzenoids Benzene and substituted derivatives Propargyl-type 1,3-dipolar organic compounds N-organohydroxylamines C-nitroso compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Arylhydroxamate - N-phenylhydroxylamine - 1-hydroxylamino, 2-unsubstituted benzenoid - Monocyclic benzene moiety - Organic nitroso compound - C-nitroso compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - N-organohydroxylamine - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as n-phenylhydroxylamines. These are hydroxylamines that are N-substituted with a phenyl group.
• External Descriptors: Not available

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

Alvos associados (humanos)

RXRA Tclin Retinoid X receptor alpha (3637 Activities)

Discover Target: RXRA

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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

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Lymphoblastoid cell (5959 Activities)

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HSD17B10 Tchem Endoplasmic reticulum-associated amyloid beta-peptide-binding protein (20669 Activities)

Discover Target: HSD17B10

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Alvos associados (não humanos)

Ppard Peroxisome proliferator-activated receptor delta (358 Activities)

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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

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Rorc Nuclear receptor ROR-gamma (89407 Activities)

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Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: dioxane: soluble 0.1g/10 mL, clear
• Ponto de fusão (°C): 243°C
• Peso molecular: 138.120 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 138.043 Da
• Monoisotopic Mass: 138.043 Da
• Topological Polar Surface Area: 61.700 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 110.000
• 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