Ethyl 2-chloronicotinate - ≥98% , CAS No.1452-94-4

CAS: 1452-94-4 Cat. No.: E121804 Fórmula: C₈H₈ClNO₂ Peso molecular: 185.61 Beilstein Registry Number: 22(5)2,175 Número EC: 642-298-0

GRADE & PURITY ≥98%

Synonyms

DTXSID20383842 | 2-Chloro-3-pyridinecarboxylic Acid Ethyl Ester | FT-0611661 | PS-4615 | Q-103410 | 2-Chloro-(3-pyridinecarboxylic acid) ethyl ester | SB52288 | AM20050817 | 5-(1H-Benzimidazol-2-yl)pentanoicacid | Ethyl 2-Chloro nicotinate | PMIMPBYTPPRBG

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

DTXSID20383842 | 2-Chloro-3-pyridinecarboxylic Acid Ethyl Ester | FT-0611661 | PS-4615 | Q-103410 | 2-Chloro-(3-pyridinecarboxylic acid) ethyl ester | SB52288 | AM20050817 | 5-(1H-Benzimidazol-2-yl)pentanoicacid | Ethyl 2-Chloro nicotinate | PMIMPBYTPPRBG

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488194026
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488194026
• Sonrisas canónicas: CCOC(=O)C1=C(N=CC=C1)Cl
• IUPAC Name: ethyl 2-chloropyridine-3-carboxylate
• InChIKey: PMIMPBYTPPRBGD-UHFFFAOYSA-N
• INCHI: 1S/C8H8ClNO2/c1-2-12-8(11)6-4-3-5-10-7(6)9/h3-5H,2H2,1H3
• Isómeros SMILES: CCOC(=O)C1=C(N=CC=C1)Cl
• Peso molecular: 185.61
• Beilstein: 22(5)2,175
• Reaxy-Rn: 472617
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=472617&ln=

Taxonomic Classification

Taxonomy Tree

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

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

Propiedades químicas y físicas

• Índice de refracción: 1.52
• Punto de ebullición (°C): 78 °C/0.1 mmHg
• Peso molecular: 185.610 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 185.024 Da
• Monoisotopic Mass: 185.024 Da
• Topological Polar Surface Area: 39.200 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 163.000
• 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). 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 1452-94-4, the molecular formula is C8H8ClNO2, and the molecular weight is 185.61 g/mol. InChIKey PMIMPBYTPPRBGD-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.