3,4-Epoxytetrahydrofuran - ≥96% , CAS No.285-69-8

CAS: 285-69-8 Cat. No.: E103092 分子式: C₄H₆O₂ 分子量: 86.09 Beilstein Registry Number: 19(5)1,185 EC番号: 206-006-1

GRADE & PURITY ≥96%

Synonyms

AKOS005260019 | SY018458 | 3,4-Epoxytetrahydrofuran, AldrichCPR | 3,6-Dioxabicyclo[3.1.0]hexane | E0795 | BCP26923 | NSC196231 | NSC-196231 | EN300-39211 | 3,4-Epoxytetrahydrofuran | 3,4-epoxy-tetrahydrofuran | 3,6-dioxabicyclo [3.1.0]hexane | 3,6-Dioxabi

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

同義語

AKOS005260019 | SY018458 | 3,4-Epoxytetrahydrofuran, AldrichCPR | 3,6-Dioxabicyclo[3.1.0]hexane | E0795 | BCP26923 | NSC196231 | NSC-196231 | EN300-39211 | 3,4-Epoxytetrahydrofuran | 3,4-epoxy-tetrahydrofuran | 3,6-dioxabicyclo [3.1.0]hexane | 3,6-Dioxabi

仕様と純度

≥96%

保管条件

Room temperature,Argon charged

入荷

Normal

純度

≥96%

名前と識別子

• パブケム・シド: 488183941
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/488183941
• カノニカル・スマイル: C1C2C(O2)CO1
• IUPAC Name: 3,6-dioxabicyclo[3.1.0]hexane
• InChIKey: AIUTZIYTEUMXGG-UHFFFAOYSA-N
• INCHI: 1S/C4H6O2/c1-3-4(6-3)2-5-1/h3-4H,1-2H2
• 異性体SMILES: C1C2C(O2)CO1
• UN番号: 1993
• 分子量: 86.09
• Beilstein: 19(5)1,185
• Reaxy-Rn: 102673
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=102673&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Dioxanes
      • Subclass 1,4-dioxanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Dioxanes
• Subclass: 1,4-dioxanes
• Intermediate Tree Nodes: Not available
• Direct Parent: 1,4-dioxanes
• Alternative Parents: Tetrahydrofurans Oxacyclic compounds Epoxides Dialkyl ethers Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Para-dioxane - Tetrahydrofuran - Oxacycle - Ether - Oxirane - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aliphatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as 1,4-dioxanes. These are organic compounds containing 1,4-dioxane, an aliphatic six-member ring with two oxygen atoms in ring positions 1 and 4.
• 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

関連ターゲット（非人間）

Mus musculus (284745 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

作用メカニズム

化学的性質と物理的性質

• 感度: Air Sensitive
• 屈折率: 1.44
• 沸点（°C）: 144°C
• 分子量: 86.090 g/mol
• XLogP3: -0.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 86.0368 Da
• Monoisotopic Mass: 86.0368 Da
• Topological Polar Surface Area: 21.800 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 63.900
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

参考文献

1. Zhou Jie, Yu Wen-Wang, Meng Xiang-Guang, Li Wen, Chu Dan-Dan.  (2025)  Imidazolium-Based Deep Eutectic Solvents Catalyzed Cycloaddition Reaction of Epoxide with CO2 in Simulated Flue Gas.  CATALYSIS LETTERS,  155  (10): (1-11).  [PMID:] [10.1007/s10562-025-05174-7]