p-Benzoquinone dioxime - ≥96% , CAS No.105-11-3

CAS: 105-11-3 Cat. No.: B101359 Summenformel: C₆H₆N₂O₂ Molekulargewicht: 138.12 Beilstein Registry Number: 2043234 EG-Nummer: 203-271-5

GRADE & PURITY ≥96%

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

Shipped In

Normal

Specifications

Synonyme

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

Spezifikationen & Reinheit

≥96%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥96%

Namen und Kennungen

• Pubchem Sid: 488180548
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180548
• Kanonisches Lächeln: 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
• Isomere SMILES: C1=CC(=CC=C1NO)N=O
• WGK Deutschland: 3
• RTECS: DK4900000
• UN-Nummer: 1325
• Verpackungsgruppe: II
• Molekulargewicht: 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
    • Klasse N-phenylhydroxylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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)

Discover Target: RXRA

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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

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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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Ppard Peroxisome proliferator-activated receptor delta (358 Activities)

Discover Target: Ppard

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

Discover Target: Nfe2l2

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Rorc Nuclear receptor ROR-gamma (89407 Activities)

Discover Target: Rorc

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Easily soluble in acetic acid, ethyl acetate, hot water, insoluble in cold water, benzene, and gasoline.
• Schmelzpunkt (°C): 243°C
• Molekulargewicht: 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

Referenzen

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]

Häufig gestellte Fragen

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What is the purity of this product?

This product is supplied at ≥96% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 105-11-3, the molecular formula is C6H6N2O2, and the molecular weight is 138.12 g/mol. InChIKey DZCCLNYLUGNUKQ-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.