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

CAS: 105-11-3 Cat. No.: P476965 분자식: C₆H₆N₂O₂ 분자량: 138.12 Beilstein Registry Number: 2043234 EC 번호: 203-271-5

등급 & 순도 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

개요

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.

사양

동의어

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

사양 및 순도

technical grade, ≥90%(TLC)

보관 조건

Room temperature

등급

기술 등급

순수함

≥90%(TLC)

이름과 식별자

Pubchem Sid

528768722

정식 스마일

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

이성체 SMILES

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

WGK 독일

3

RTECS

DK4900000

UN 번호

1325

포장 그룹

II

분자량

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
    • 분류 N-phenylhydroxylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: 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
• 설명: 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

관련 대상(인간)

RXRA Tclin Retinoid X receptor alpha (3637 Activities)

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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)

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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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작용 메커니즘

화학 및 물리적 특성

• 용해성: dioxane: soluble 0.1g/10 mL, clear
• 녹는점(°C): 243°C
• 분자량: 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