4,6-Dichloronicotinamide - ≥98% , CAS No.70593-57-6

CAS: 70593-57-6 Cat. No.: D186146 Summenformel: C₆H₄Cl₂N₂O Molekulargewicht: 191.02

GRADE & PURITY ≥98%

Synonyms

SY046611 | 4,6-DICHLORO-3-PYRIDINECARBOXAMIDE | 4,6-dichloro nicotinamide | AKOS005073349 | Pyridine-3-carboxamide, 4,6-dichloro- | 4,6-dichloropyridine-3-carboxamide | AC-907/30003059 | FT-0646497 | MFCD01646073 | DTXSID80344873 | AMY36919 | J-514140 | S

Storage

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

Shipped In

Wet ice

Specifications

Synonyme

SY046611 | 4,6-DICHLORO-3-PYRIDINECARBOXAMIDE | 4,6-dichloro nicotinamide | AKOS005073349 | Pyridine-3-carboxamide, 4,6-dichloro- | 4,6-dichloropyridine-3-carboxamide | AC-907/30003059 | FT-0646497 | MFCD01646073 | DTXSID80344873 | AMY36919 | J-514140 | S

Spezifikationen & Reinheit

≥98%

Storage

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

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 528759530
• Kanonisches Lächeln: C1=C(C(=CN=C1Cl)C(=O)N)Cl
• IUPAC Name: 4,6-dichloropyridine-3-carboxamide
• InChIKey: IQVYHPUXNYVYFW-UHFFFAOYSA-N
• INCHI: 1S/C6H4Cl2N2O/c7-4-1-5(8)10-2-3(4)6(9)11/h1-2H,(H2,9,11)
• Isomere SMILES: C1=C(C(=CN=C1Cl)C(=O)N)Cl
• Molekulargewicht: 191.02
• Reaxy-Rn: 473768
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=473768&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Pyridines and derivatives
      • Subclass Pyridinecarboxylic acids and derivatives
        • Ebene5 Pyridinecarboxamides
          • Ebene6 Nicotinamides

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Pyridines and derivatives
• Subclass: Pyridinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Pyridinecarboxamides
• Direct Parent: Nicotinamides
• Alternative Parents: Polyhalopyridines 2-halopyridines Aryl chlorides Vinylogous halides Heteroaromatic compounds Primary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Nicotinamide - Polyhalopyridine - 2-halopyridine - Aryl chloride - Aryl halide - Vinylogous halide - Heteroaromatic compound - Carboxamide group - Primary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organic oxide - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as nicotinamides. These are heterocyclic aromatic compounds containing a pyridine ring substituted at position 3 by a carboxamide 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: light sensitive
• Molekulargewicht: 191.010 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 189.97 Da
• Monoisotopic Mass: 189.97 Da
• Topological Polar Surface Area: 56.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 165.000
• 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