2-Benzylpyridine - ≥98%(GC)(T) , CAS No.101-82-6

CAS: 101-82-6 Cat. No.: B152137 Molecular Weight: 169.23 Beilstein Registry Number: 115875 EC Number: 202-979-1

GRADE & PURITY ≥98%(GC)(T)

Synonyms

UNII-EW2N4V60MQ | AC-19013 | AC-907/25014395 | benzylpyridine | 5-20-07-00556 (Beilstein Handbook Reference) | AI3-11559 | BBL011348 | DTXSID5059240 | Pyridine, 2-benzyl- | 2-(Phenylmethyl)pyridine | NSC4033 | Q27277389 | SCHEMBL64435 | AS-59231 | EN300-1

Storage

Room temperature,Argon charged

Shipped In

FedEx DG Service

Specifications

Synonyms

UNII-EW2N4V60MQ | AC-19013 | AC-907/25014395 | benzylpyridine | 5-20-07-00556 (Beilstein Handbook Reference) | AI3-11559 | BBL011348 | DTXSID5059240 | Pyridine, 2-benzyl- | 2-(Phenylmethyl)pyridine | NSC4033 | Q27277389 | SCHEMBL64435 | AS-59231 | EN300-1

Specifications & Purity

≥98%(GC)(T)

Storage

Room temperature, Argon charged

Shipped In

FedEx DG Service

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%(GC)(T)

Names and Identifiers

• Pubchem Sid: 488180493
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180493
• Canonical Smiles: C1=CC=C(C=C1)CC2=CC=CC=N2
• IUPAC Name: 2-benzylpyridine
• InChIKey: PCFUWBOSXMKGIP-UHFFFAOYSA-N
• INCHI: 1S/C12H11N/c1-2-6-11(7-3-1)10-12-8-4-5-9-13-12/h1-9H,10H2
• Isomeric SMILES: C1=CC=C(C=C1)CC2=CC=CC=N2
• WGK Germany: 3
• RTECS: US2620000
• Molecular Weight: 169.23
• Beilstein: 115875
• Reaxy-Rn: 115875
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=115875&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyridines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridines and derivatives
• Alternative Parents: Benzene and substituted derivatives Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzenoid - Pyridine - 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 pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms.
• 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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in alcohol. Insoluble in water.
• Sensitivity: air sensitive
• Refractive Index: 1.5790
• Flash Point(°F): 257 °F
• Flash Point(°C): 125 °C
• Boil Point(°C): 140-143℃/11mm
• Melt Point(°C): 10-12℃
• Molecular Weight: 169.220 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• 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: 138.000
• 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