acide 4-chloro-6-hydroxynicotinique - ≥98% , CAS No.73038-85-4

CAS: 73038-85-4 Cat. No.: C194787 Formule: C₆H₄ClNO₃ Poids moléculaire: 173.55 Numéro CE: 982-910-6 PubChem CID: 19067739

QUALITÉ & PURETÉ ≥98%

Synonyms

MFCD13189223 | SCHEMBL7864245 | VHAMXXDHIPPOHE-UHFFFAOYSA-N | DTXSID70597775 | AKOS016005796 | AB67983 | 4-Chloro-6-oxo-1,6-dihydropyridine-3-carboxylic acid | A866162 | DS-14677 | 4-chloro-6-oxo-1H-pyridine-3-carboxylic acid | 4-Chloro-6-hydroxynicotinic

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Spécifications

Synonymes

MFCD13189223 | SCHEMBL7864245 | VHAMXXDHIPPOHE-UHFFFAOYSA-N | DTXSID70597775 | AKOS016005796 | AB67983 | 4-Chloro-6-oxo-1,6-dihydropyridine-3-carboxylic acid | A866162 | DS-14677 | 4-chloro-6-oxo-1H-pyridine-3-carboxylic acid | 4-Chloro-6-hydroxynicotinic

Spécifications et pureté

≥98%

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

≥98%

Noms et identifiants

Sourires canoniques

C1=C(C(=CNC1=O)C(=O)O)Cl

IUPAC Name

4-chloro-6-oxo-1H-pyridine-3-carboxylic acid

InChIKey

VHAMXXDHIPPOHE-UHFFFAOYSA-N

INCHI

1S/C6H4ClNO3/c7-4-1-5(9)8-2-3(4)6(10)11/h1-2H,(H,8,9)(H,10,11)

Isomères SMILES

C1=C(C(=CNC1=O)C(=O)O)Cl

PubChem CID

19067739

Poids moléculaire

173.55

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyridines and derivatives
      • Subclass Pyridinecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyridines and derivatives
• Subclass: Pyridinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinecarboxylic acids
• Alternative Parents: Dihydropyridinecarboxylic acids and derivatives 1-carboxy-2-haloaromatic compounds Pyridinones Aryl chlorides Vinylogous halides Vinylogous amides Heteroaromatic compounds Lactams Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Dihydropyridinecarboxylic acid derivative - Pyridine carboxylic acid - 1-carboxy-2-haloaromatic compound - Dihydropyridine - Pyridinone - Aryl chloride - Aryl halide - Hydropyridine - Heteroaromatic compound - Vinylogous amide - Vinylogous halide - Lactam - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyridinecarboxylic acids. These are compounds containing a pyridine ring bearing a carboxylic acid 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

• Poids moléculaire: 173.550 g/mol
• XLogP3: -0.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 172.988 Da
• Monoisotopic Mass: 172.988 Da
• Topological Polar Surface Area: 66.400 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 280.000
• 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