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

CAS: 56311-37-6 Cat. No.: E354852 Summenformel: C₇H₈O₃ Molekulargewicht: 140.14 EG-Nummer: 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

Synonyme

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

Spezifikationen & Reinheit

≥97%

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥97%

Namen und Kennungen

Kanonisches Lächeln

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)

Isomere SMILES

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

Molekulargewicht

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
    • Klasse Furans
      • Subclass Furoic acid and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Brechungsindex: n20D1.51 (Predicted)
• Siedepunkt (°C): ~254.4° C at 760 mmHg (Predicted)
• Schmelzpunkt (°C): 57.11° C (Predicted)
• Molekulargewicht: 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