5-Ethylfuran-2-carboxylic acid - ≥97% , CAS No.56311-37-6

CAS: 56311-37-6 Cat. No.: E354852 Fórmula: C₇H₈O₃ Peso molecular: 140.14 Número EC: 835-116-8

GRADE & PURITY ≥97%

Synonyms

DTXSID30289543 | AMY32129 | EN300-36265 | 5-Ethyl-furan-2-carboxylic acid | 5-ethylfuran-2-carboxylic acid | Furan-2-carboxylic acid, 5-ethyl- | Z57564911 | SB61314 | 5-ethyl-2-furoic acid | BB 0262857 | FT-0677943 | SCHEMBL266172 | AT17158 | FS-6494 | A8

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

DTXSID30289543 | AMY32129 | EN300-36265 | 5-Ethyl-furan-2-carboxylic acid | 5-ethylfuran-2-carboxylic acid | Furan-2-carboxylic acid, 5-ethyl- | Z57564911 | SB61314 | 5-ethyl-2-furoic acid | BB 0262857 | FT-0677943 | SCHEMBL266172 | AT17158 | FS-6494 | A8

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

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

Sonrisas canónicas

CCC1=CC=C(O1)C(=O)O

IUPAC Name

5-ethylfuran-2-carboxylic acid

InChIKey

YIFZPUOIORLHGC-UHFFFAOYSA-N

INCHI

1S/C7H8O3/c1-2-5-3-4-6(10-5)7(8)9/h3-4H,2H2,1H3,(H,8,9)

Isómeros SMILES

CCC1=CC=C(O1)C(=O)O

Peso molecular

140.14

Reaxy-Rn

116120

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=116120&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Furans
      • Subclass Furoic acid and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Furans
• Subclass: Furoic acid and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Furoic acids
• Alternative Parents: Heteroaromatic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Furoic acid - Heteroaromatic compound - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as furoic acids. These are organic compounds containing a furoic acid moiety, with a structure characterized by a furan ring bearing a carboxylic acid group at the C2 or C3 carbon 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

Propiedades químicas y físicas

• Índice de refracción: n20D1.51 (Predicted)
• Punto de ebullición (°C): ~254.4° C at 760 mmHg (Predicted)
• Punto de fusión (°C): 57.11° C (Predicted)
• Peso molecular: 140.140 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 140.047 Da
• Monoisotopic Mass: 140.047 Da
• Topological Polar Surface Area: 50.400 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 133.000
• 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