2-Phenylpyridine - ≥98% , CAS No.1008-89-5

CAS: 1008-89-5 Cat. No.: P107716 Fórmula: C₁₁H₉N Peso molecular: 155.2 Beilstein Registry Number: 110445 Número CE: 213-763-1

GRADE & PURITY ≥98%

Synonyms

Q18205048 | DTXSID6074417 | SCHEMBL35754 | Z1255464971 | NSC 89291 | NSC89291 | MFCD00006280 | o-Phenylpyridine | SY017662 | InChI=1/C11H9N/c1-2-6-10(7-3-1)11-8-4-5-9-12-11/h1-9 | 2Y6S09838Q | 2-(Phenyl-2-D)pyridine | MFCD31699954 | EINECS 213-763-1 | Pyr

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinónimos

Q18205048 | DTXSID6074417 | SCHEMBL35754 | Z1255464971 | NSC 89291 | NSC89291 | MFCD00006280 | o-Phenylpyridine | SY017662 | InChI=1/C11H9N/c1-2-6-10(7-3-1)11-8-4-5-9-12-11/h1-9 | 2Y6S09838Q | 2-(Phenyl-2-D)pyridine | MFCD31699954 | EINECS 213-763-1 | Pyr

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature,Argon charged

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

488181915

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181915

Sorrisos canónicos

C1=CC=C(C=C1)C2=CC=CC=N2

IUPAC Name

2-phenylpyridine

InChIKey

VQGHOUODWALEFC-UHFFFAOYSA-N

INCHI

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

SMILES isoméricas

C1=CC=C(C=C1)C2=CC=CC=N2

WGK Alemanha

3

RTECS

UT7140900

Peso molecular

155.2

Beilstein

110445

Reaxy-Rn

110445

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=110445&ln=

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: Benzene and substituted derivatives Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-phenylpyridine - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descrição: 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

Alvos associados (humanos)

HT-29 (80576 Activities)

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

MCF7 (126967 Activities)

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Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Fully miscible with ethanol, acetone, toluene, methylene chloride. Not miscible in water.
• Sensibilidade: Air Sensitive
• Índice de refração: 1.623
• Ponto de inflamação (°F): 230 °F
• Ponto de inflamação (°C): >110 ºC
• Ponto de ebulição (°C): 268-270°C
• Peso molecular: 155.200 g/mol
• XLogP3: 2.600
• 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

Perguntas frequentes

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.

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 1008-89-5, the molecular formula is C11H9N, and the molecular weight is 155.2 g/mol. InChIKey VQGHOUODWALEFC-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.