Ethyl 4,6-dichloro-5-fluoronicotinate - ≥95% , CAS No.154012-17-6

CAS: 154012-17-6 Cat. No.: E730147 Summenformel: C₈H₆Cl₂FNO₂ Molekulargewicht: 238.04 PubChem CID: 21781758

GRADE & PURITY ≥95%

Synonyms

Ethyl4,6-dichloro-5-fluoropyridine-3-carboxylate,2,4-Dichloro-5-(ethoxycarbonyl)-3-fluoropyridine | ethyl4,6-dichloro-5-fluoropyridine-3-carboxylate | 3-Pyridinecarboxylicacid,4,6-dichloro-5-fluoro-,ethylester | 4,6-dichloro-5-fluoro-3-pyridinecarboxylica

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Synonyme

Ethyl4,6-dichloro-5-fluoropyridine-3-carboxylate,2,4-Dichloro-5-(ethoxycarbonyl)-3-fluoropyridine | ethyl4,6-dichloro-5-fluoropyridine-3-carboxylate | 3-Pyridinecarboxylicacid,4,6-dichloro-5-fluoro-,ethylester | 4,6-dichloro-5-fluoro-3-pyridinecarboxylica

Spezifikationen & Reinheit

≥95%

Storage

Store at 2-8°C,Desiccated

Verschickt in

Wet ice

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

Reinheit

≥95%

Namen und Kennungen

Kanonisches Lächeln

CCOC(=O)C1=CN=C(C(=C1Cl)F)Cl

IUPAC Name

ethyl 4,6-dichloro-5-fluoropyridine-3-carboxylate

InChIKey

PJAYGSDXQHYXNZ-UHFFFAOYSA-N

INCHI

1S/C8H6Cl2FNO2/c1-2-14-8(13)4-3-12-7(10)6(11)5(4)9/h3H,2H2,1H3

Isomere SMILES

CCOC(=O)C1=CN=C(C(=C1Cl)F)Cl

PubChem CID

21781758

Molekulargewicht

238.04

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Pyridines and derivatives
• Subclass: Pyridinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinecarboxylic acids
• Alternative Parents: Polyhalopyridines 2-halopyridines Aryl fluorides Aryl chlorides Vinylogous halides Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine carboxylic acid - Polyhalopyridine - 2-halopyridine - Aryl chloride - Aryl fluoride - Aryl halide - Heteroaromatic compound - Vinylogous halide - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Moisture sensitive
• Molekulargewicht: 238.040 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 236.976 Da
• Monoisotopic Mass: 236.976 Da
• Topological Polar Surface Area: 39.200 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 218.000
• 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