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

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

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,

Specifications & Purity

≥98%

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

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

Purity

≥98%

Names and Identifiers

• Canonical Smiles: 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
• Isomeric SMILES: C#CC1=CN=CC=C1
• WGK Germany: 3
• UN Number: 1325
• Molecular Weight: 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
    • 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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Heat & Air sensitive.
• Flash Point(°F): 135°F
• Flash Point(°C): 57 °C
• Boil Point(°C): 83-84 °C/30 mmHg
• Melt Point(°C): 39-40°C
• Molecular Weight: 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