Ethyl benzofuran-2-carboxylate - ≥97% , CAS No.3199-61-9

CAS: 3199-61-9 Cat. No.: E169539 Peso molecular: 190.2

GRADE & PURITY ≥97%

Synonyms

KAWQPOUWLVOHKU-UHFFFAOYSA-N | Ethyl benzofuran-2-carboxylate, 97% | FT-0600480 | 2-Benzofurancarboxylic acid ethyl ester | AKOS000114246 | BB 0244007 | CCG-138913 | benzofuran-2-carboxylic acid ethyl ester | A821092 | MFCD03094950 | ethyl 1-benzofuran-2-c

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Sinónimos

KAWQPOUWLVOHKU-UHFFFAOYSA-N | Ethyl benzofuran-2-carboxylate, 97% | FT-0600480 | 2-Benzofurancarboxylic acid ethyl ester | AKOS000114246 | BB 0244007 | CCG-138913 | benzofuran-2-carboxylic acid ethyl ester | A821092 | MFCD03094950 | ethyl 1-benzofuran-2-c

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504759706
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759706
• Sonrisas canónicas: CCOC(=O)C1=CC2=CC=CC=C2O1
• IUPAC Name: ethyl 1-benzofuran-2-carboxylate
• InChIKey: KAWQPOUWLVOHKU-UHFFFAOYSA-N
• INCHI: 1S/C11H10O3/c1-2-13-11(12)10-7-8-5-3-4-6-9(8)14-10/h3-7H,2H2,1H3
• Isómeros SMILES: CCOC(=O)C1=CC2=CC=CC=C2O1
• WGK Alemania: 3
• Peso molecular: 190.2
• Reaxy-Rn: 146493
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=146493&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzofurans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzofurans
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzofurans
• Alternative Parents: Furoic acid esters Benzenoids Heteroaromatic compounds Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Furoic acid ester - Benzofuran - Furoic acid or derivatives - Benzenoid - Heteroaromatic compound - Furan - Carboxylic acid ester - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzofurans. These are organic compounds containing a benzene ring fused to a furan. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom.
• 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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Heat and light sensitive
• Punto de inflamación (°F): >230 °F
• Punto de inflamación (°C): >110 °C
• Punto de fusión (°C): 29-34 °C
• Peso molecular: 190.190 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 190.063 Da
• Monoisotopic Mass: 190.063 Da
• Topological Polar Surface Area: 39.400 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 215.000
• 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