5-Méthyl-2-phénylpyridine - ≥98% , CAS No.27012-22-2

CAS: 27012-22-2 Cat. No.: M292617 Formule: C₁₂H₁₁N Poids moléculaire: 169.23 Numéro CE: 248-163-9

GRADE & PURITY ≥98%

Synonyms

A877050 | 3-methyl-6-phenylpyridine | DTXSID00949783 | 2-phenyl-5-methyl pyridine | Pyridine, 5-methyl-2-phenyl- | FT-0692777 | SCHEMBL404433 | SY100654 | EINECS 248-163-9 | CBA01222 | DS-7491 | C74402 | 5-methyl-2-(phenyl)pyridine | 5-Methyl-2-phenylpyri

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonymes

A877050 | 3-methyl-6-phenylpyridine | DTXSID00949783 | 2-phenyl-5-methyl pyridine | Pyridine, 5-methyl-2-phenyl- | FT-0692777 | SCHEMBL404433 | SY100654 | EINECS 248-163-9 | CBA01222 | DS-7491 | C74402 | 5-methyl-2-(phenyl)pyridine | 5-Methyl-2-phenylpyri

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Argon charged,Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

Pubchem Sid

504753643

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504753643

Sourires canoniques

CC1=CN=C(C=C1)C2=CC=CC=C2

IUPAC Name

5-methyl-2-phenylpyridine

InChIKey

ZYLPQYYLLRBVOK-UHFFFAOYSA-N

INCHI

1S/C12H11N/c1-10-7-8-12(13-9-10)11-5-3-2-4-6-11/h2-9H,1H3

Isomères SMILES

CC1=CN=C(C=C1)C2=CC=CC=C2

Poids moléculaire

169.23

Reaxy-Rn

115189

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=115189&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: Methylpyridines Benzene and substituted derivatives Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-phenylpyridine - Methylpyridine - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: 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

Propriétés chimiques et physiques

• Sensibilité: air sensitive
• Point d'ébullition (°C): 166 °C
• Point de fusion (°C): 55 °C
• Poids moléculaire: 169.220 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 169.089 Da
• Monoisotopic Mass: 169.089 Da
• Topological Polar Surface Area: 12.900 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 149.000
• 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

Foire aux questions

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 27012-22-2, the molecular formula is C12H11N, and the molecular weight is 169.23 g/mol. InChIKey ZYLPQYYLLRBVOK-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.