2-Chloro-5-ethynylpyridine - ≥95% , CAS No.263012-63-1

CAS: 263012-63-1 Cat. No.: C192408 Formula: C₇H₄ClN Peso molecolare: 137.57 Numero EC: 866-998-2

GRADE & PURITY ≥95%

Synonyms

AMY14107 | 2-Chloro-5-ethynylpyridine | 2-chloro-5-ethynyl-pyridine | DS-4513 | MFCD10698136 | SCHEMBL403343 | Pyridine, 2-chloro-5-ethynyl- (9CI) | AB61374 | 2-chloro-5-ethynyl pyridine | FT-0746607 | A849319 | PYRIDINE, 2-CHLORO-5-ETHYNYL- | AKOS0063031

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinonimi

AMY14107 | 2-Chloro-5-ethynylpyridine | 2-chloro-5-ethynyl-pyridine | DS-4513 | MFCD10698136 | SCHEMBL403343 | Pyridine, 2-chloro-5-ethynyl- (9CI) | AB61374 | 2-chloro-5-ethynyl pyridine | FT-0746607 | A849319 | PYRIDINE, 2-CHLORO-5-ETHYNYL- | AKOS0063031

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Argon charged

Spedito in

Wet ice

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Purezza

≥95%

Nomi e identificatori

• Sorrisi canonici: C#CC1=CN=C(C=C1)Cl
• IUPAC Name: 2-chloro-5-ethynylpyridine
• InChIKey: PGLDMOFVMPWSEN-UHFFFAOYSA-N
• INCHI: 1S/C7H4ClN/c1-2-6-3-4-7(8)9-5-6/h1,3-5H
• Isomeri SMILES: C#CC1=CN=C(C=C1)Cl
• Peso molecolare: 137.57
• Reaxy-Rn: 8478229
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8478229&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyridines and derivatives
• Subclass: Halopyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: 2-halopyridines
• Alternative Parents: Aryl chlorides Heteroaromatic compounds Azacyclic compounds Acetylides Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-halopyridine - Aryl halide - Aryl chloride - Heteroaromatic compound - Acetylide - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Peso molecolare: 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