3-Phenylpyridine - ≥97% , CAS No.1008-88-4

CAS: 1008-88-4 Cat. No.: P111392 Fórmula: C₁₁H₉N Peso molecular: 155.2 Beilstein Registry Number: 110400 Número EC: 213-762-6

CALIDAD & PUREZA ≥97%

Synonyms

EINECS 213-762-6 | ss-Phenylpyridine | 3-(phenyl)pyridine | m-Phenylpyridine;3-Azabiphenyl;Phenylpyridine | J-800107 | 3-phenylpyridine, 33 | EDZ6KB7JVC | EN300-21220 | FT-0616353 | InChI=1/C11H9N/c1-2-5-10(6-3-1)11-7-4-8-12-9-11/h1-9 | Q27277127 | UNII-E

Storage

Argon charged,Room temperature

Shipped In

Normal

Descripción general

3-Phenylpyridine was employed as axial ligand to investigate the rate of olefin oxygenation catalyzed by synthetic metalloporphyrins.

3-Phenylpyridine forms complexes with gold(III), palladium(II) and platinum(II) chloride and their 1H, 13C and 15N nuclear magnetic resonance studies have been reported. Interactions of 3-phenylpyridine with copper surface has been investigated by Surface-enhanced Raman scattering (SERS) spectroscopy and cyclic voltammetry. It is a useful synthetic intermediate.

Especificaciones

Sinónimos

EINECS 213-762-6 | ss-Phenylpyridine | 3-(phenyl)pyridine | m-Phenylpyridine;3-Azabiphenyl;Phenylpyridine | J-800107 | 3-phenylpyridine, 33 | EDZ6KB7JVC | EN300-21220 | FT-0616353 | InChI=1/C11H9N/c1-2-5-10(6-3-1)11-7-4-8-12-9-11/h1-9 | Q27277127 | UNII-E

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Argon charged,Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

Pubchem Sid

488181914

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181914

Sonrisas canónicas

C1=CC=C(C=C1)C2=CN=CC=C2

IUPAC Name

3-phenylpyridine

InChIKey

HJKGBRPNSJADMB-UHFFFAOYSA-N

INCHI

1S/C11H9N/c1-2-5-10(6-3-1)11-7-4-8-12-9-11/h1-9H

Isómeros SMILES

C1=CC=C(C=C1)C2=CN=CC=C2

WGK Alemania

3

Peso molecular

155.2

Beilstein

110400

Reaxy-Rn

110400

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=110400&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: Phenylpyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyridines
• Alternative Parents: Benzene and substituted derivatives Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 3-phenylpyridine - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descripción: 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

Objetivos asociados (humanos)

HT-29 (80576 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MCF7 (126967 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HEK293 (82097 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

IDO1 Tchem Indoleamine 2,3-dioxygenase (6650 Activities)

Discover Target: IDO1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in chloroform, dichloromethane and ethyl acetate.
• Sensibilidad: air sensitive
• Índice de refracción: 1.62
• Punto de inflamación (°F): 110 °C
• Punto de inflamación (°C): 110°C
• Punto de ebullición (°C): 274°C
• Peso molecular: 155.200 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 155.073 Da
• Monoisotopic Mass: 155.073 Da
• Topological Polar Surface Area: 12.900 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 127.000
• 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥97% 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.

How is this product shipped?

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

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

The CAS Number is 1008-88-4, the molecular formula is C11H9N, and the molecular weight is 155.2 g/mol. InChIKey HJKGBRPNSJADMB-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.