2-Pentylfuran - ≥98%(GC) , CAS No.3777-69-3

CAS: 3777-69-3 Cat. No.: P103007 Summenformel: C₉H₁₄O Molekulargewicht: 138.21 EG-Nummer: 223-234-7

GRADE & PURITY ≥98%(GC)

Synonyms

2-Pentylfuran 100 microg/mL in Acetonitrile | 2-Amylfuran | Furan, pentyl- | Z1255423587 | UNII-6I0QAJ1JZQ | NCGC00257337-01 | 2-Pentylfuran, natural (US), >=97%, FG | CAS-3777-69-3 | 2-Pentylfuran (natural) | Tox21_303542 | PD144438 | CHEBI:89197 | DTXCI

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyme

2-Pentylfuran 100 microg/mL in Acetonitrile | 2-Amylfuran | Furan, pentyl- | Z1255423587 | UNII-6I0QAJ1JZQ | NCGC00257337-01 | 2-Pentylfuran, natural (US), >=97%, FG | CAS-3777-69-3 | 2-Pentylfuran (natural) | Tox21_303542 | PD144438 | CHEBI:89197 | DTXCI

Spezifikationen & Reinheit

≥98%(GC)

Storage

Room temperature,Argon charged

Verschickt in

Normal

Reinheit

≥98%(GC)

Namen und Kennungen

Pubchem Sid

488182550

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488182550

Kanonisches Lächeln

CCCCCC1=CC=CO1

IUPAC Name

2-pentylfuran

InChIKey

YVBAUDVGOFCUSG-UHFFFAOYSA-N

INCHI

1S/C9H14O/c1-2-3-4-6-9-7-5-8-10-9/h5,7-8H,2-4,6H2,1H3

Isomere SMILES

CCCCCC1=CC=CO1

Molekulargewicht

138.21

Reaxy-Rn

107854

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=107854&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

• Empfindlichkeit: Air sensitive
• Brechungsindex: 1.45
• Flammpunkt (°C): 46°C
• Siedepunkt (°C): 155℃
• Molekulargewicht: 138.210 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 138.104 Da
• Monoisotopic Mass: 138.104 Da
• Topological Polar Surface Area: 13.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 80.800
• 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