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

CAS: 105-11-3 Cat. No.: P476965 Formula: C₆H₆N₂O₂ Peso molecolare: 138.12 Beilstein Registry Number: 2043234 Numero EC: 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

Panoramica

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

Sinonimi

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

Specifiche e purezza

technical grade, ≥90%(TLC)

Condizioni di conservazione di stoccaggio

Room temperature

Grado

Grado tecnico

Purezza

≥90%(TLC)

Nomi e identificatori

• Pubchem Sid: 528768722
• Sorrisi canonici: 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
• Isomeri SMILES: C1=CC(=CC=C1NO)N=O
• WGK Germania: 3
• RTECS: DK4900000
• Numero UN: 1325
• Gruppo di imballaggio: II
• Peso molecolare: 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
• Descrizione: 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

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RXRA Tclin Retinoid X receptor alpha (3637 Activities)

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Obiettivi associati (non umani)

Ppard Peroxisome proliferator-activated receptor delta (358 Activities)

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: dioxane: soluble 0.1g/10 mL, clear
• Punto di fusione (°C): 243°C
• Peso molecolare: 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

Riferimenti

1. Shanling Lu, Yuehan Qian, Yuemin Zhou, He Liu, Xu Xu, Fuhao Dong.  (2024)  Rosin-Modified Polyurethane Elastomers with Room-Temperature Self-Healing Ability, High Strength, and Recyclability Based on Oxime Dynamic Bonds.  ACS Applied Polymer Materials,      [PMID:] [10.1021/acsapm.3c02584]