2-Propylfuran - ≥98%(GC) , CAS No.4229-91-8

CAS: 4229-91-8 Cat. No.: P160277 分子式: C₇H₁₀O 分子量: 110.16 EC番号: 224-182-8 PubChem CID: 77907

グレード＆純度 ≥98%(GC)

Synonyms

NSC 35553 | 2-n-PROPYL FURAN | CPLJMYOQYRCCBY-UHFFFAOYSA- | AI3-26552 | EINECS 224-182-8 | D92136 | MFCD00047070 | SCHEMBL414949 | alpha-Propylfuran | NSC35553 | NSC-35553 | AKOS025396850 | Q63392388 | DTXSID00195122 | InChI=1/C7H10O/c1-2-4-7-5-3-6-8-7/h3

Storage

Room temperature

Shipped In

Normal

仕様

同義語

NSC 35553 | 2-n-PROPYL FURAN | CPLJMYOQYRCCBY-UHFFFAOYSA- | AI3-26552 | EINECS 224-182-8 | D92136 | MFCD00047070 | SCHEMBL414949 | alpha-Propylfuran | NSC35553 | NSC-35553 | AKOS025396850 | Q63392388 | DTXSID00195122 | InChI=1/C7H10O/c1-2-4-7-5-3-6-8-7/h3

仕様と純度

≥98%(GC)

保管条件

Room temperature

入荷

Normal

純度

≥98%(GC)

名前と識別子

パブケム・シド

504755224

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504755224

カノニカル・スマイル

CCCC1=CC=CO1

IUPAC Name

2-propylfuran

InChIKey

CPLJMYOQYRCCBY-UHFFFAOYSA-N

INCHI

1S/C7H10O/c1-2-4-7-5-3-6-8-7/h3,5-6H,2,4H2,1H3

異性体SMILES

CCCC1=CC=CO1

PubChem CID

77907

UN番号

1993

包装グループ

III

分子量

110.16

Reaxy-Rn

105752

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Heteroaromatic compounds

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 屈折率: 1.44
• 引火点（°F）: 75°F
• 引火点（°C）: 24°C
• 沸点（°C）: 115 °C
• 分子量: 110.150 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 110.073 Da
• Monoisotopic Mass: 110.073 Da
• Topological Polar Surface Area: 13.100 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 61.400
• 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