5-Methyl-2-p-tolylpyridine - ≥98%(HPLC) , CAS No.85237-71-4

CAS: 85237-71-4 Cat. No.: M290602 Summenformel: C₁₃H₁₃N Molekulargewicht: 183.25 EG-Nummer: 286-432-2

GRADE & PURITY ≥98%(HPLC)

Synonyms

5-Methyl-2-(p-tolyl)pyridine|85237-71-4|5-methyl-2-(4-methylphenyl)pyridine|EINECS 286-432-2|SCHEMBL2477927|DTXSID001005726|BS-45233|E78610

Storage

Room temperature

Specifications

Synonyme

5-Methyl-2-(p-tolyl)pyridine | 85237-71-4 | 5-methyl-2-(4-methylphenyl)pyridine | EINECS 286-432-2 | SCHEMBL2477927 | DTXSID001005726 | BS-45233 | E78610

Spezifikationen & Reinheit

≥98%(HPLC)

Storage

Room temperature

Reinheit

≥98%(HPLC)

Namen und Kennungen

Pubchem Sid

488194187

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488194187

Kanonisches Lächeln

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

IUPAC Name

5-methyl-2-(4-methylphenyl)pyridine

InChIKey

PTBRNAVGPWOGSE-UHFFFAOYSA-N

INCHI

1S/C13H13N/c1-10-3-6-12(7-4-10)13-8-5-11(2)9-14-13/h3-9H,1-2H3

Isomere SMILES

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

Molekulargewicht

183.25

Reaxy-Rn

9845370

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9845370&ln=

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: Toluenes Methylpyridines Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-phenylpyridine - Methylpyridine - Toluene - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Azacycle - Organic nitrogen compound - 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 183.250 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 183.105 Da
• Monoisotopic Mass: 183.105 Da
• Topological Polar Surface Area: 12.900 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 170.000
• 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 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.

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

The CAS Number is 85237-71-4, the molecular formula is C13H13N, and the molecular weight is 183.25 g/mol. InChIKey PTBRNAVGPWOGSE-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.