2-m-Tolylpyridine - ≥98% , CAS No.4373-61-9

CAS: 4373-61-9 Cat. No.: M290410 Formule: C₁₂H₁₁N Poids moléculaire: 169.22 Numéro CE: 806-335-6

GRADE & PURITY ≥98%

Synonyms

O10534 | DS-7195 | SCHEMBL215712 | JMTCQDNRTSGBGC-UHFFFAOYSA-N | 2-(m-Tolyl)pyridine | 2-M-tolylpyridine | 2-m-Tolyl-pyridine | BB 0222820 | SB66620 | AKOS004113795 | 2-(3-methylphenyl)pyridine | DTXSID00963106

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonymes

O10534 | DS-7195 | SCHEMBL215712 | JMTCQDNRTSGBGC-UHFFFAOYSA-N | 2-(m-Tolyl)pyridine | 2-M-tolylpyridine | 2-m-Tolyl-pyridine | BB 0222820 | SB66620 | AKOS004113795 | 2-(3-methylphenyl)pyridine | DTXSID00963106

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Store at 2-8°C,Argon charged

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Noms et identifiants

• Sourires canoniques: CC1=CC(=CC=C1)C2=CC=CC=N2
• IUPAC Name: 2-(3-methylphenyl)pyridine
• InChIKey: JMTCQDNRTSGBGC-UHFFFAOYSA-N
• INCHI: 1S/C12H11N/c1-10-5-4-6-11(9-10)12-7-2-3-8-13-12/h2-9H,1H3
• Isomères SMILES: CC1=CC(=CC=C1)C2=CC=CC=N2
• Poids moléculaire: 169.22
• Reaxy-Rn: 117204
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=117204&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: Toluenes Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-phenylpyridine - Toluene - 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

• Poids moléculaire: 169.220 g/mol
• XLogP3: 3.000
• 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: 155.000
• 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