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

CAS: 2510-23-8 Cat. No.: E101379 Formule: C₇H₅N Poids moléculaire: 103.12 Beilstein Registry Number: 20(5)7,3 Numéro 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

Synonymes

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,

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Store at -20°C,Argon charged

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Noms et identifiants

Pubchem Sid

508808812

Pubchem Sid Url

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

Sourires canoniques

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

Isomères SMILES

C#CC1=CN=CC=C1

WGK Allemagne

3

Numéro ONU

1325

Poids moléculaire

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
• 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

Mécanismes d'action

Propriétés chimiques et physiques

• Sensibilité: Heat & Air sensitive.
• Point d'éclair (°F): 135°F
• Point d'éclair (°C): 57 °C
• Point d'ébullition (°C): 83-84 °C/30 mmHg
• Point de fusion (°C): 39-40°C
• Poids moléculaire: 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