2-Ethylbenzofuran - ≥98% , CAS No.3131-63-3

CAS: 3131-63-3 Cat. No.: E183611 Formula: C₁₀H₁₀O Peso molecolare: 146.2 Numero EC: 221-524-8

GRADE & PURITY ≥98%

Synonyms

D97187 | A820796 | AS-17366 | SCHEMBL515109 | AKOS000120525 | DTXSID9062857 | Ethyl-2-benzofuran | W-106909 | 2-Ethylbenzofuran | FT-0612263 | Benzbromarone Impurity 6 | 2-ethylbenzo[b]furan | 2-ethylbenzo[b]-furan | EINECS 221-524-8 | AMY28814 | SY067362

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

D97187 | A820796 | AS-17366 | SCHEMBL515109 | AKOS000120525 | DTXSID9062857 | Ethyl-2-benzofuran | W-106909 | 2-Ethylbenzofuran | FT-0612263 | Benzbromarone Impurity 6 | 2-ethylbenzo[b]furan | 2-ethylbenzo[b]-furan | EINECS 221-524-8 | AMY28814 | SY067362

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 504755081
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755081
• Sorrisi canonici: CCC1=CC2=CC=CC=C2O1
• IUPAC Name: 2-ethyl-1-benzofuran
• InChIKey: KJHYAEZMOHLVCH-UHFFFAOYSA-N
• INCHI: 1S/C10H10O/c1-2-9-7-8-5-3-4-6-10(8)11-9/h3-7H,2H2,1H3
• Isomeri SMILES: CCC1=CC2=CC=CC=C2O1
• Peso molecolare: 146.2
• Reaxy-Rn: 113219
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=113219&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Benzofurans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Benzofurans
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzofurans
• Alternative Parents: Benzenoids Heteroaromatic compounds Furans Oxacyclic compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzofuran - Benzenoid - Heteroaromatic compound - Furan - Oxacycle - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Peso molecolare: 146.190 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 146.073 Da
• Monoisotopic Mass: 146.073 Da
• Topological Polar Surface Area: 13.100 Ų
• Heavy Atom Count: 11
• 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