2-Chloro-4-ethynylpyridine - ≥98% , CAS No.945717-09-9

CAS: 945717-09-9 Cat. No.: C188532 Summenformel: C₇H₄ClN Molekulargewicht: 137.6 EG-Nummer: 810-612-7

GRADE & PURITY ≥98%

Synonyms

A859334 | AKOS015851292 | SY067198 | DLEWWBKXDRBGRF-UHFFFAOYSA-N | DTXSID00634081 | AB69028 | 2-CHLORO-4-ETHYNYLPYRIDINE | 2-chloro-4-ethynyl-pyridine | EN300-1965223 | DS-11609 | J-508729 | 2-Chloro-4-ethynylpyridine, AldrichCPR | SCHEMBL3243507 | MFCD13

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

A859334 | AKOS015851292 | SY067198 | DLEWWBKXDRBGRF-UHFFFAOYSA-N | DTXSID00634081 | AB69028 | 2-CHLORO-4-ETHYNYLPYRIDINE | 2-chloro-4-ethynyl-pyridine | EN300-1965223 | DS-11609 | J-508729 | 2-Chloro-4-ethynylpyridine, AldrichCPR | SCHEMBL3243507 | MFCD13

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Kanonisches Lächeln

C#CC1=CC(=NC=C1)Cl

IUPAC Name

2-chloro-4-ethynylpyridine

InChIKey

DLEWWBKXDRBGRF-UHFFFAOYSA-N

INCHI

1S/C7H4ClN/c1-2-6-3-4-9-7(8)5-6/h1,3-5H

Isomere SMILES

C#CC1=CC(=NC=C1)Cl

Molekulargewicht

137.6

Reaxy-Rn

15512485

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15512485&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Pyridines and derivatives
      • Subclass Halopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Pyridines and derivatives
• Subclass: Halopyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: 2-halopyridines
• Alternative Parents: Aryl chlorides Heteroaromatic compounds Azacyclic compounds Acetylides Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-halopyridine - Aryl halide - Aryl chloride - Heteroaromatic compound - Acetylide - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as 2-halopyridines. These are organic compounds containing a pyridine ring substituted at the 2-position by a halogen atom.
• 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 137.560 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 137.003 Da
• Monoisotopic Mass: 137.003 Da
• Topological Polar Surface Area: 12.900 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 135.000
• 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