Ethyl 2-pyridylacetate - ≥98%(GC) , CAS No.2739-98-2

CAS: 2739-98-2 Cat. No.: E138597 Formula: C₉H₁₁NO₂ Peso molecolare: 165.19 Beilstein Registry Number: 123817 Numero EC: 220-365-1

GRADE & PURITY ≥98%(GC)

Synonyms

ethyl pyrid-2-ylacetate | 2-Pyridylacetic Acid Ethyl Ester | A23996 | FT-0625979 | J-016755 | MFCD00006359 | Ethyl (pyridin-2-yl)acetate | RWJ 20485 | STR02169 | ethyl 2-pyridin-2-ylacetate | DTXSID90181817 | SN 307 | Arcoiran | Ethyl 2-pyridylacetate | 1

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinonimi

ethyl pyrid-2-ylacetate | 2-Pyridylacetic Acid Ethyl Ester | A23996 | FT-0625979 | J-016755 | MFCD00006359 | Ethyl (pyridin-2-yl)acetate | RWJ 20485 | STR02169 | ethyl 2-pyridin-2-ylacetate | DTXSID90181817 | SN 307 | Arcoiran | Ethyl 2-pyridylacetate | 1

Specifiche e purezza

≥98%(GC)

Condizioni di conservazione di stoccaggio

Argon charged,Room temperature

Spedito in

Normal

Purezza

≥98%(GC)

Nomi e identificatori

• Pubchem Sid: 488185193
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185193
• Sorrisi canonici: CCOC(=O)CC1=CC=CC=N1
• IUPAC Name: ethyl 2-pyridin-2-ylacetate
• InChIKey: IUDKTVXSXWAKJO-UHFFFAOYSA-N
• INCHI: 1S/C9H11NO2/c1-2-12-9(11)7-8-5-3-4-6-10-8/h3-6H,2,7H2,1H3
• Isomeri SMILES: CCOC(=O)CC1=CC=CC=N1
• WGK Germania: 3
• Peso molecolare: 165.19
• Beilstein: 123817
• Reaxy-Rn: 123817
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=123817&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyridines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyridines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridines and derivatives
• Alternative Parents: Heteroaromatic compounds Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine - Heteroaromatic compound - Carboxylic acid ester - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms.
• 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

Proprietà chimiche e fisiche

• Sensibilità: Air Sensitive
• Indice di rifrazione: 1.5
• Punto di infiammabilità (°F): 230°F
• Punto di infiammabilità (°C): >110°C
• Punto di ebollizione (°C): 70 °C
• Peso molecolare: 165.190 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 165.079 Da
• Monoisotopic Mass: 165.079 Da
• Topological Polar Surface Area: 39.200 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 147.000
• 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

Domande frequenti

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 under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 2739-98-2, the molecular formula is C9H11NO2, and the molecular weight is 165.19 g/mol. InChIKey IUDKTVXSXWAKJO-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.