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

CAS: 105-11-3 Cat. No.: P476965 Formule: C₆H₆N₂O₂ Poids moléculaire: 138.12 Beilstein Registry Number: 2043234 Numéro 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

Vue d’ensemble

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

Synonymes

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

Spécifications et pureté

technical grade, ≥90%(TLC)

Conditions de stockage de stockage

Room temperature

Grade

Qualité technique

Pureté

≥90%(TLC)

Noms et identifiants

Pubchem Sid

528768722

Sourires canoniques

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

Isomères SMILES

C1=CC(=CC=C1NO)N=O

WGK Allemagne

3

RTECS

DK4900000

Numéro ONU

1325

Groupe d'emballage

II

Poids moléculaire

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
• Description: 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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Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: dioxane: soluble 0.1g/10 mL, clear
• Point de fusion (°C): 243°C
• Poids moléculaire: 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