5-Chloro-6-hydroxynicotinaldehyde - ≥95% , CAS No.627501-18-2

CAS: 627501-18-2 Cat. No.: C731237 Formule: C₆H₄ClNO₂ Poids moléculaire: 157.56 PubChem CID: 24213807

GRADE & PURITY ≥95%

Synonyms

5-chloro-6-oxo-1H-pyridine-3-carbaldehyde

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonymes

5-chloro-6-oxo-1H-pyridine-3-carbaldehyde

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Store at 2-8°C,Argon charged

Expédié en

Wet ice

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

Pureté

≥95%

Noms et identifiants

• Sourires canoniques: C1=C(C(=O)NC=C1C=O)Cl
• IUPAC Name: 5-chloro-6-oxo-1H-pyridine-3-carbaldehyde
• InChIKey: FGMJOLYLUIKTGP-UHFFFAOYSA-N
• INCHI: 1S/C6H4ClNO2/c7-5-1-4(3-9)2-8-6(5)10/h1-3H,(H,8,10)
• Isomères SMILES: C1=C(C(=O)NC=C1C=O)Cl
• PubChem CID: 24213807
• Poids moléculaire: 157.56

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyridines and derivatives
• Subclass: Pyridine carboxaldehydes
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridine carboxaldehydes
• Alternative Parents: Pyridinones Dihydropyridines Aryl-aldehydes Aryl chlorides Vinylogous amides Heteroaromatic compounds Lactams Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 3-pyridine carboxaldehyde - Dihydropyridine - Aryl-aldehyde - Pyridinone - Aryl chloride - Aryl halide - Hydropyridine - Heteroaromatic compound - Vinylogous amide - Lactam - Azacycle - Organonitrogen compound - Organochloride - Organohalogen compound - Aldehyde - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
• Description: 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

Propriétés chimiques et physiques

• Point de fusion (°C): 255-257°
• Poids moléculaire: 157.550 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 156.993 Da
• Monoisotopic Mass: 156.993 Da
• Topological Polar Surface Area: 46.200 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 242.000
• 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 627501-18-2, the molecular formula is C6H4ClNO2, and the molecular weight is 157.56 g/mol. InChIKey FGMJOLYLUIKTGP-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.