2-Phenylpyridine 1-Oxide - ≥98% , CAS No.1131-33-5

CAS: 1131-33-5 Cat. No.: P404953 Formula: C₁₁H₉NO Peso molecolare: 171.2 Numero EC: 878-888-1 PubChem CID: 302489

GRADE & PURITY ≥98%

Synonyms

DTXSID10307097 | FT-0704072 | 2-Phenylpyridine, 1-oxide | MZBZERKDGUOLBE-UHFFFAOYSA-N | NSC187558 | NSC-187558 | Pyridine,2-phenyl-,1-oxide | 2-phenyl-pyridine 1-oxide | 2-phenylpyridine 1-oxide | A1-12009 | 1-oxido-2-phenyl-pyridin-1-ium | 1-oxido-2-phen

Storage

Argon charged,Room temperature

Specifications

Sinonimi

DTXSID10307097 | FT-0704072 | 2-Phenylpyridine, 1-oxide | MZBZERKDGUOLBE-UHFFFAOYSA-N | NSC187558 | NSC-187558 | Pyridine,2-phenyl-,1-oxide | 2-phenyl-pyridine 1-oxide | 2-phenylpyridine 1-oxide | A1-12009 | 1-oxido-2-phenyl-pyridin-1-ium | 1-oxido-2-phen

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Argon charged,Room temperature

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

488189384

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488189384

Sorrisi canonici

C1=CC=C(C=C1)C2=CC=CC=[N+]2[O-]

IUPAC Name

1-oxido-2-phenylpyridin-1-ium

InChIKey

MZBZERKDGUOLBE-UHFFFAOYSA-N

INCHI

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

Isomeri SMILES

C1=CC=C(C=C1)C2=CC=CC=[N+]2[O-]

PubChem CID

302489

Peso molecolare

171.2

Reaxy-Rn

121038

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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: 2-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
• Descrizione: 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

Proprietà chimiche e fisiche

• Sensibilità: Hygroscopic
• Punto di fusione (°C): 159 °C
• Peso molecolare: 171.190 g/mol
• XLogP3: 1.500
• 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: 154.000
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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

The CAS Number is 1131-33-5, the molecular formula is C11H9NO, and the molecular weight is 171.2 g/mol. InChIKey MZBZERKDGUOLBE-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.