3-Ethynylpyridine - ≥98% , CAS No.2510-23-8

CAS: 2510-23-8 Cat. No.: E101379 Fórmula: C₇H₅N Peso molecular: 103.12 Beilstein Registry Number: 20(5)7,3 Número CE: 628-508-3

GRADE & PURITY ≥98%

Synonyms

FT-0651034 | EN300-103704 | MFCD02177459 | E0560 | 2-n-Butyl-2-ethyl-1,3-propanediol | 3-Pyridinecarbonitrile,labeled with deuterium(9ci) | DTXSID70947958 | 3-Pyridylacetylene | 3-ethynylpyridine | 3-ethynyl-pyridine | InChI=1/C7H5N/c1-2-7-4-3-5-8-6-7/h1,

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

FT-0651034 | EN300-103704 | MFCD02177459 | E0560 | 2-n-Butyl-2-ethyl-1,3-propanediol | 3-Pyridinecarbonitrile,labeled with deuterium(9ci) | DTXSID70947958 | 3-Pyridylacetylene | 3-ethynylpyridine | 3-ethynyl-pyridine | InChI=1/C7H5N/c1-2-7-4-3-5-8-6-7/h1,

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Store at -20°C,Argon charged

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

508808812

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508808812

Sorrisos canónicos

C#CC1=CN=CC=C1

IUPAC Name

3-ethynylpyridine

InChIKey

CLRPXACRDTXENY-UHFFFAOYSA-N

INCHI

1S/C7H5N/c1-2-7-4-3-5-8-6-7/h1,3-6H

SMILES isoméricas

C#CC1=CN=CC=C1

WGK Alemanha

3

Número UN

1325

Peso molecular

103.12

Beilstein

20(5)7,3

Reaxy-Rn

106470

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=106470&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
• Descrição: 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

Mecanismos de ação

Propriedades químicas e físicas

• Sensibilidade: Heat & Air sensitive.
• Ponto de inflamação (°F): 135°F
• Ponto de inflamação (°C): 57 °C
• Ponto de ebulição (°C): 83-84 °C/30 mmHg
• Ponto de fusão (°C): 39-40°C
• Peso molecular: 103.120 g/mol
• XLogP3: 1.100
• 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