2-Ethynylpyridine - ≥98%, contains 0.01% Hydroquinone as stabilizer , CAS No.1945-84-2

CAS: 1945-84-2 Cat. No.: E106166 Molecular Weight: 103.12 EC Number: 628-748-9

GRADE & PURITY ≥98%, contains 0.01% Hydroquinone as stabilizer

Synonyms

2-Ethynyl pyridine | EN300-96035 | E0340 | AM20061684 | 2-(ethynyl)pyridine | ethynyl pyridine | SCHEMBL211092 | 2-Pyridylacetylene | AKOS008901246 | PB17077 | Ethynylpyridine | ortho-ethynylpyridine | Pyridine, ethynyl- | InChI=1/C7H5N/c1-2-7-5-3-4-6-8-7

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

2-Ethynylpyridine is used in the synthesis of the self-doped ionic conjugated polymer, poly(2-ethynylpyridinimum N-benzoylsulfonate). May darken in storage with no loss in purity.

2-Ethynylpyridine has been used to synthesize:

• poly(2-ethynyl-N-iodopyridinium iodide), via in-situ uncatalyzed polymerization

• poly[2-ethynyl-N-(2-furoyl)pyridinium chloride

• poly[2-ethynyl-N-(propylsulfonate)pyridinium betaine]

• 4-(2′-pyridyl)-1,2,3-triphospholide anion, via reaction with anionic heptaphosphide clusters

• poly[N-(carboxymethyl)-2-ethynylpyridinium bromide], a new water-soluble ionic conjugated polymer

• self-doped ionic conjugated polymer, poly(2-ethynylpyridinimum N-benzoylsulfonate).

Specifications

Synonyms

2-Ethynyl pyridine | EN300-96035 | E0340 | AM20061684 | 2-(ethynyl)pyridine | ethynyl pyridine | SCHEMBL211092 | 2-Pyridylacetylene | AKOS008901246 | PB17077 | Ethynylpyridine | ortho-ethynylpyridine | Pyridine, ethynyl- | InChI=1/C7H5N/c1-2-7-5-3-4-6-8-7

Specifications & Purity

≥98%, contains 0.01% Hydroquinone as stabilizer

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

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

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488187938
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187938
• Canonical Smiles: C#CC1=CC=CC=N1
• IUPAC Name: 2-ethynylpyridine
• InChIKey: NHUBNHMFXQNNMV-UHFFFAOYSA-N
• INCHI: 1S/C7H5N/c1-2-7-5-3-4-6-8-7/h1,3-6H
• Isomeric SMILES: C#CC1=CC=CC=N1
• WGK Germany: 3
• Molecular Weight: 103.12
• Reaxy-Rn: 1098904
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1098904&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: Heteroaromatic compounds Azacyclic compounds Acetylides Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine - Heteroaromatic compound - Acetylide - 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

Associated Targets(Human)

HCT-116 (91556 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: air & light & heat sensitive;Hygroscopic
• Refractive Index: 1.557-1.561
• Flash Point(°F): 76 °C
• Flash Point(°C): 76°C
• Boil Point(°C): 77-78°C
• Molecular Weight: 103.120 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 103.042 Da
• Monoisotopic Mass: 103.042 Da
• Topological Polar Surface Area: 12.900 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 109.000
• 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

References

1. Tianyou Chen, Wei Xiao, Zihao Wang, Pengfei Gan, Changfeng Yi, Zushun Xu.  (2021)  Pyrene-Containing Polymer-Supported Cu/TEMPO Catalytic Systems: Aromatic Stacking-Enhanced Cooperative Catalysis.  Journal of Physical Chemistry C,      [PMID:] [10.1021/acs.jpcc.1c09972]