The store will not work correctly when cookies are disabled.
JavaScript seems to be disabled in your browser.
For the best experience on our site, be sure to turn on Javascript in your browser.
This is a demo store. No orders will be fulfilled.
We use cookies to keep things working smoothly and to improve your experience.
Choose what’s okay for you below. See our Cookie Policy .
Accept Cookies
4-Benzylpyridine - >98.0%(GC), high purity , CAS No.2116-65-6
Basic Description
Synonyms
A815178 | Pyridine, 4-benzyl- | 4-(phenylmethyl)pyridine | B0437 | EINECS 218-319-0 | phenyl-(4-pyridinyl)methane | UNII-1P29GQM0OH | 4-benzyl pyridine | EN300-20244 | 4-BENZYLPYRIDINE | 4-Benzyl-pyridine | Z104477464 | BDBM50123254 | AKOS000119387 | MFCD
Specifications & Purity
≥98%(GC)
Storage Temp
Argon charged
Shipped In
Normal
Product Description
Applications
4-Benzylpyridine is a benzylpyridine with antifungal properties. 4-Benzylpyridine has been used as a reactant in the synthesis of bis(alkylpyridinium)alkanes as antifungal agents.
Taxonomic Classification
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
a small molecule
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.
Associated Targets(Human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
Pubchem Sid
488182248
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488182248
IUPAC Name
4-benzylpyridine
INCHI
InChI=1S/C12H11N/c1-2-4-11(5-3-1)10-12-6-8-13-9-7-12/h1-9H,10H2
InChIKey
DBOLXXRVIFGDTI-UHFFFAOYSA-N
Smiles
C1=CC=C(C=C1)CC2=CC=NC=C2
Isomeric SMILES
C1=CC=C(C=C1)CC2=CC=NC=C2
WGK Germany
3
RTECS
US2625000
Molecular Weight
169.23
Beilstein
115831
Reaxy-Rn
115831
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=115831&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Soluble in ethanol, ethyl ether. Insoluble in water.
Sensitivity
Air sensitive
Refractive Index
1.5800 - 1.5830
Flash Point(°F)
239 °F
Flash Point(°C)
115 °C
Boil Point(°C)
287 °C
Melt Point(°C)
11 °C
Molecular Weight
169.220 g/mol
XLogP3
2.600
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
132.000
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
Citations of This Product
1.
Maosheng Chen, Chenyu Ye, Chengqin Dai, Ruixiang Li, Ruijuan Qi, Chunhua Luo, Hui Peng, Hechun Lin.
(2023)
Self-assembly formation of CuI hybrid micron phosphors with tunable emission for multifunctional applications. JOURNAL OF COLLOID AND INTERFACE SCIENCE,
638
(834).
2.
Dongheng Zhao, Qian Ma, Ying Sun, Lingyu Li, Huayushuo Zhang, Bolong Li, Zhiqiang Liu, Xiaomei Jiang.
(2025)
Highly Luminescent Zero-Dimensional Organic Metal (Zn, Mn) Alloyed Halides as Single-Component Yellow Phosphor for White LED Applications. ACS Applied Energy Materials,
3.
Qingzheng Kong, Xiaomei Jiang, Ying Sun, Jianguo Zhu, Xutang Tao.
(2024)
Yellow-emissive organic copper(I) halide single crystals with [Cu4I4] cubane unit as efficient X-ray scintillators. Inorganic Chemistry Frontiers,
Solution Calculators
Molarity Calculator
Determine the necessary mass, volume, or concentration for preparing a solution.
Dilution Calculator
Determine the dilution needed to prepare a stock solution.
Reconstitution Calculator
Shall we send you a message when we have discounts available?
Remind me later
Allow
Thank you! Please check your email inbox to confirm.
Oops! Notifications are disabled.
3 Citations
F2418324