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

CAS: 4466-24-4 Cat. No.: B152372 Formula: C₈H₁₂O Peso molecolare: 124.18 Numero EC: 224-732-7

QUALITÀ & PUREZZA ≥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

Specifiche

Sinonimi

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

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

488182630

Pubchem Sid Url

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

Sorrisi canonici

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

Isomeri SMILES

CCCCC1=CC=CO1

Numero UN

1993

Gruppo di imballaggio

III

Peso molecolare

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
    • Classe Heteroaromatic compounds

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Indice di rifrazione: 1.45
• Punto di infiammabilità (°C): 32 °C
• Punto di ebollizione (°C): 59 °C/45 mmHg
• Peso molecolare: 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