Ethyl 2,6-Dichloronicotinate - ≥98%(GC) , CAS No.58584-86-4

CAS: 58584-86-4 Cat. No.: E156067 Summenformel: C₈H₇Cl₂NO₂ Molekulargewicht: 220.05 EG-Nummer: 696-497-2

GRADE & PURITY ≥98%(GC)

Synonyms

Ethyl 2,6-dichloronicotinate | FT-0698640 | KKYBVLDQTWQETN-UHFFFAOYSA-N | MFCD09757510 | E1194 | Ethyl-2, 6-dichloro pyridine-3-carboxylate | SCHEMBL422881 | DTXSID10483047 | 2,6-dichloro nicotinic acid ethyl ester | Ethyl2,6-dichloronicotinate | 2,6-Dich

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

Ethyl 2,6-dichloronicotinate | FT-0698640 | KKYBVLDQTWQETN-UHFFFAOYSA-N | MFCD09757510 | E1194 | Ethyl-2, 6-dichloro pyridine-3-carboxylate | SCHEMBL422881 | DTXSID10483047 | 2,6-dichloro nicotinic acid ethyl ester | Ethyl2,6-dichloronicotinate | 2,6-Dich

Spezifikationen & Reinheit

≥98%(GC)

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%(GC)

Namen und Kennungen

• Pubchem Sid: 488197994
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488197994
• Kanonisches Lächeln: CCOC(=O)C1=C(N=C(C=C1)Cl)Cl
• IUPAC Name: ethyl 2,6-dichloropyridine-3-carboxylate
• InChIKey: KKYBVLDQTWQETN-UHFFFAOYSA-N
• INCHI: 1S/C8H7Cl2NO2/c1-2-13-8(12)5-3-4-6(9)11-7(5)10/h3-4H,2H2,1H3
• Isomere SMILES: CCOC(=O)C1=C(N=C(C=C1)Cl)Cl
• Molekulargewicht: 220.05
• Reaxy-Rn: 390620
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=390620&ln=

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 chlorides Vinylogous halides Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine carboxylic acid - Polyhalopyridine - 2-halopyridine - Aryl chloride - Aryl halide - Vinylogous halide - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - 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

• Löslichkeit: Soluble in Methanol
• Schmelzpunkt (°C): 52 °C
• Molekulargewicht: 220.050 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 218.985 Da
• Monoisotopic Mass: 218.985 Da
• Topological Polar Surface Area: 39.200 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 189.000
• 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

Häufig gestellte Fragen

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 58584-86-4, the molecular formula is C8H7Cl2NO2, and the molecular weight is 220.05 g/mol. InChIKey KKYBVLDQTWQETN-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.