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

CAS: 1945-84-2 Cat. No.: E106166 Formula: C₇H₅N Peso molecolare: 103.12 Numero EC: 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

Panoramica

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

Sinonimi

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

Specifiche e purezza

≥98%, contains 0.01% Hydroquinone as stabilizer

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Argon charged

Spedito in

Wet ice

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Purezza

≥98%

Nomi e identificatori

Pubchem Sid

488187938

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488187938

Sorrisi canonici

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

Isomeri SMILES

C#CC1=CC=CC=N1

WGK Germania

3

Peso molecolare

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
    • Classe Pyridines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Descrizione: 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

Obiettivi associati (umani)

HCT-116 (91556 Activities)

Explore this target

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Sensibilità: air & light & heat sensitive;Hygroscopic
• Indice di rifrazione: 1.557-1.561
• Punto di infiammabilità (°F): 76 °C
• Punto di infiammabilità (°C): 76°C
• Punto di ebollizione (°C): 77-78°C
• Peso molecolare: 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