2,3-Dichloroisonicotinaldehyde - ≥97% , CAS No.884495-41-4

CAS: 884495-41-4 Cat. No.: D590516 Formule: C₆H₃Cl₂NO Poids moléculaire: 176.00

QUALITÉ & PURETÉ ≥97%

Synonyms

AMY7876 | 2,3-Dichloroisonicotinaldehyde | EC-0603 | J-506932 | 2,3-DICHLORO-4-FORMYLPYRIDINE | FT-0646654 | P18770 | AKOS005072345 | 2,3-Dichloro-4-pyridinecarboxaldehyde | 2,3-Dichloropyridine-4-carboxaldehyde | SCHEMBL748190 | 2,3-Dichloro-pyridine-4-c

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Spécifications

Synonymes

AMY7876 | 2,3-Dichloroisonicotinaldehyde | EC-0603 | J-506932 | 2,3-DICHLORO-4-FORMYLPYRIDINE | FT-0646654 | P18770 | AKOS005072345 | 2,3-Dichloro-4-pyridinecarboxaldehyde | 2,3-Dichloropyridine-4-carboxaldehyde | SCHEMBL748190 | 2,3-Dichloro-pyridine-4-c

Spécifications et pureté

≥97%

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

≥97%

Noms et identifiants

Pubchem Sid

508807642

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508807642

Sourires canoniques

C1=CN=C(C(=C1C=O)Cl)Cl

IUPAC Name

2,3-dichloropyridine-4-carbaldehyde

InChIKey

BSNLYVFMZPQWAJ-UHFFFAOYSA-N

INCHI

1S/C6H3Cl2NO/c7-5-4(3-10)1-2-9-6(5)8/h1-3H

Isomères SMILES

C1=CN=C(C(=C1C=O)Cl)Cl

CAS alternatif

884495-41-4

Poids moléculaire

176.00

Reaxy-Rn

19182347

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19182347&ln=

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: Polyhalopyridines Aryl-aldehydes 2-halopyridines Aryl chlorides Vinylogous halides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 4-pyridine carboxaldehyde - Polyhalopyridine - 2-halopyridine - Aryl-aldehyde - Aryl chloride - Aryl halide - Vinylogous halide - Heteroaromatic compound - Azacycle - Aldehyde - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Organic nitrogen 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

• Sensibilité: air sensitive
• Point de fusion (°C): 94-96°
• Poids moléculaire: 176.000 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 174.959 Da
• Monoisotopic Mass: 174.959 Da
• Topological Polar Surface Area: 30.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 131.000
• 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