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

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

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Argon charged

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: 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
• Isómeros SMILES: C#CC1=CN=CC=C1
• WGK Alemania: 3
• Número ONU: 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
    • Clase Pyridines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: 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
• Descripción: 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 acción

Propiedades químicas y físicas

• Sensibilidad: Heat & Air sensitive.
• Punto de inflamación (°F): 135°F
• Punto de inflamación (°C): 57 °C
• Punto de ebullición (°C): 83-84 °C/30 mmHg
• Punto de fusión (°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