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

CAS: 1945-84-2 Cat. No.: E106166 분자식: C₇H₅N 분자량: 103.12 EC 번호: 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

개요

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

동의어

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

사양 및 순도

≥98%, contains 0.01% Hydroquinone as stabilizer

보관 조건

Store at 2-8°C,Argon charged

배송

Wet ice

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순수함

≥98%

이름과 식별자

Pubchem Sid

488187938

Pubchem Sid Url

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

정식 스마일

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

이성체 SMILES

C#CC1=CC=CC=N1

WGK 독일

3

분자량

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
    • 분류 Pyridines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: 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
• 설명: 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

관련 대상(인간)

HCT-116 (91556 Activities)

Explore this target

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

작용 메커니즘

화학 및 물리적 특성

• 감도: air & light & heat sensitive;Hygroscopic
• 굴절률: 1.557-1.561
• 발화점(°F): 76 °C
• 발화점(°C): 76°C
• 끓는점(°C): 77-78°C
• 분자량: 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