2-Butylfuran - ≥98% , CAS No.4466-24-4

CAS: 4466-24-4 Cat. No.: B152372 Summenformel: C₈H₁₂O Molekulargewicht: 124.18 EG-Nummer: 224-732-7

QUALITÄT & REINHEIT ≥98%

Synonyms

D88935 | 2-n-Butyl furan | FT-0613148 | 2-n-Butylfuran | DTXSID8073340 | 2-BUTYLFURAN | 2-butyl-furan | AKOS025396869 | SCHEMBL256700 | SY048490 | CHEBI:89750 | PS-4850 | 2-Butylfuran, AldrichCPR | 2-Butylfuran 100 microg/mL in Acetonitrile | B2412 | NWZI

Storage

Room temperature

Shipped In

Normal

Spezifikationen

Synonyme

D88935 | 2-n-Butyl furan | FT-0613148 | 2-n-Butylfuran | DTXSID8073340 | 2-BUTYLFURAN | 2-butyl-furan | AKOS025396869 | SCHEMBL256700 | SY048490 | CHEBI:89750 | PS-4850 | 2-Butylfuran, AldrichCPR | 2-Butylfuran 100 microg/mL in Acetonitrile | B2412 | NWZI

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

488182630

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488182630

Kanonisches Lächeln

CCCCC1=CC=CO1

IUPAC Name

2-butylfuran

InChIKey

NWZIYQNUCXUJJJ-UHFFFAOYSA-N

INCHI

1S/C8H12O/c1-2-3-5-8-6-4-7-9-8/h4,6-7H,2-3,5H2,1H3

Isomere SMILES

CCCCC1=CC=CO1

UN-Nummer

1993

Verpackungsgruppe

III

Molekulargewicht

124.18

Reaxy-Rn

107045

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=107045&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Heteroaromatic compounds

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Heteroaromatic compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Heteroaromatic compounds
• Alternative Parents: Furans Oxacyclic compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Heteroaromatic compound - Furan - Oxacycle - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as heteroaromatic compounds. These are compounds containing an aromatic ring where a carbon atom is linked to an hetero 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: 1.45
• Flammpunkt (°C): 32 °C
• Siedepunkt (°C): 59 °C/45 mmHg
• Molekulargewicht: 124.180 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 124.089 Da
• Monoisotopic Mass: 124.089 Da
• Topological Polar Surface Area: 13.100 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 71.000
• 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