5-Formyl-2-pyridinecarbonitrile - ≥97% , CAS No.131747-68-7

CAS: 131747-68-7 Cat. No.: F181154 Peso molecular: 132.1 Número EC: 871-375-3

GRADE & PURITY ≥97%

Synonyms

SCHEMBL450834 | MFCD12755972 | W-205377 | 2-PYRIDINECARBONITRILE, 5-FORMYL- | A856212 | PD160392 | SY031878 | AKOS015837488 | EN300-73114 | 5-FORMYL-2-PYRIDINECARBONITRILE | 5-formylpyridine-2-carbonitrile | 6-cyano-3-pyridinecarboxaldehyde | Not availabl

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

SCHEMBL450834 | MFCD12755972 | W-205377 | 2-PYRIDINECARBONITRILE, 5-FORMYL- | A856212 | PD160392 | SY031878 | AKOS015837488 | EN300-73114 | 5-FORMYL-2-PYRIDINECARBONITRILE | 5-formylpyridine-2-carbonitrile | 6-cyano-3-pyridinecarboxaldehyde | Not availabl

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light, Argon charged

Enviado en

Wet ice

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

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504765839
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765839
• Sonrisas canónicas: C1=CC(=NC=C1C=O)C#N
• IUPAC Name: 5-formylpyridine-2-carbonitrile
• InChIKey: ZYOAZOZQOTWMEE-UHFFFAOYSA-N
• INCHI: 1S/C7H4N2O/c8-3-7-2-1-6(5-10)4-9-7/h1-2,4-5H
• Isómeros SMILES: C1=CC(=NC=C1C=O)C#N
• Peso molecular: 132.1
• Reaxy-Rn: 4244022
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4244022&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyridines and derivatives
      • Subclass Pyridine carboxaldehydes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: Pyridine carboxaldehydes
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridine carboxaldehydes
• Alternative Parents: Aryl-aldehydes Heteroaromatic compounds Nitriles Azacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 3-pyridine carboxaldehyde - Aryl-aldehyde - Heteroaromatic compound - Azacycle - Nitrile - Carbonitrile - Organic nitrogen compound - Organic oxygen compound - Cyanide - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aldehyde - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyridine carboxaldehydes. These are aromatic compounds containing a pyridine ring which bears a carboxaldehyde group.
• 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

Propiedades químicas y físicas

• Sensibilidad: Light sensitive
• Peso molecular: 132.120 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 132.032 Da
• Monoisotopic Mass: 132.032 Da
• Topological Polar Surface Area: 53.800 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 170.000
• 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