4-Phenylpyridine N-Oxide - ≥98%(HPLC)(T) , CAS No.1131-61-9

CAS: 1131-61-9 Cat. No.: P160489 Summenformel: C₁₁H₉NO Molekulargewicht: 171.2 Beilstein Registry Number: 121493 PubChem CID: 70803

GRADE & PURITY ≥98%(HPLC)(T)

Synonyms

4-phenyl pyridine N-oxide | 4-Phenylpyridine N-oxide | SCHEMBL317079 | 96ZG43F5TE | D78188 | VZOPVKZLLGMDDG-UHFFFAOYSA-N | VZOPVKZLLGMDDG-UHFFFAOYSA- | 2-METHYL-2-THIOPSEUDOUREASULFATE | 4-Phenylpyridine N-oxide, 98% | AKOS024318881 | p-Phenylpyridine N-o

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

4-phenyl pyridine N-oxide | 4-Phenylpyridine N-oxide | SCHEMBL317079 | 96ZG43F5TE | D78188 | VZOPVKZLLGMDDG-UHFFFAOYSA-N | VZOPVKZLLGMDDG-UHFFFAOYSA- | 2-METHYL-2-THIOPSEUDOUREASULFATE | 4-Phenylpyridine N-oxide, 98% | AKOS024318881 | p-Phenylpyridine N-o

Spezifikationen & Reinheit

≥98%(HPLC)(T)

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%(HPLC)(T)

Namen und Kennungen

Pubchem Sid

488184599

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488184599

Kanonisches Lächeln

C1=CC=C(C=C1)C2=CC=[N+](C=C2)[O-]

IUPAC Name

1-oxido-4-phenylpyridin-1-ium

InChIKey

VZOPVKZLLGMDDG-UHFFFAOYSA-N

INCHI

1S/C11H9NO/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H

Isomere SMILES

C1=CC=C(C=C1)C2=CC=[N+](C=C2)[O-]

WGK Deutschland

3

PubChem CID

70803

Molekulargewicht

171.2

Beilstein

121493

Reaxy-Rn

121493

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Pyridines and derivatives
      • Subclass Phenylpyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Pyridines and derivatives
• Subclass: Phenylpyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyridines
• Alternative Parents: Pyridinium derivatives Benzene and substituted derivatives Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 4-phenylpyridine - Benzenoid - Pyridinium - Monocyclic benzene moiety - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond.
• 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Hygroscopic
• Schmelzpunkt (°C): 155 °C
• Molekulargewicht: 171.190 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 171.068 Da
• Monoisotopic Mass: 171.068 Da
• Topological Polar Surface Area: 25.500 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 146.000
• 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

Häufig gestellte Fragen

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

The CAS Number is 1131-61-9, the molecular formula is C11H9NO, and the molecular weight is 171.2 g/mol. InChIKey VZOPVKZLLGMDDG-UHFFFAOYSA-N.

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

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 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.