2,5-Dimethoxytetrahydrofuran - ≥95% , CAS No.696-59-3

CAS: 696-59-3 Cat. No.: D418695 Peso molecular: 132.16 Beilstein Registry Number: 104261 Número EC: 211-797-1

GRADE & PURITY ≥95%

Synonyms

2,5-Dimethoxytetrahydrofuran|696-59-3|Tetrahydro-2,5-dimethoxyfuran|2,5-dimethoxyoxolane|Furan, tetrahydro-2,5-dimethoxy-|Dimethoxytetrahydrofuran|2.5-dimethoxytetrahydrofuran|C6H12O3|2,5 dimethoxy tetrahydrofuran|2,5-dimethoxy-tetrahydrofuran|2,5-Bis(met

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

2, 5-Dimethoxytetrahydrofuran | 696-59-3 | Tetrahydro-2, 5-dimethoxyfuran | 2, 5-dimethoxyoxolane | Furan, tetrahydro-2, 5-dimethoxy- | Dimethoxytetrahydrofuran | 2.5-dimethoxytetrahydrofuran | C6H12O3 | 2, 5 dimethoxy tetrahydrofuran | 2, 5-dimethoxy-tetrahydrofuran | 2, 5-Bis(met

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 504755344
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755344
• Sonrisas canónicas: COC1CCC(O1)OC
• IUPAC Name: 2,5-dimethoxyoxolane
• InChIKey: GFISDBXSWQMOND-UHFFFAOYSA-N
• INCHI: 1S/C6H12O3/c1-7-5-3-4-6(8-2)9-5/h5-6H,3-4H2,1-2H3
• Isómeros SMILES: COC1CCC(O1)OC
• WGK Alemania: 1
• Número ONU: 1993
• Peso molecular: 132.16
• Beilstein: 104261
• Reaxy-Rn: 104261
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=104261&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Tetrahydrofurans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Tetrahydrofurans
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetrahydrofurans
• Alternative Parents: Oxacyclic compounds Acetals Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Tetrahydrofuran - Oxacycle - Acetal - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as tetrahydrofurans. These are heterocyclic compounds containing a saturated, aliphatic, five-membered ring where a carbon is replaced by an oxygen.
• 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

Propiedades químicas y físicas

• Solubilidad: Miscible with methanol, diethyl ether and tetrahydrofuran. Immiscible with water.
• Sensibilidad: Air & Moisture & Heat & Light sensitive
• Índice de refracción: 1.4160 - 1.4190
• Punto de inflamación (°F): 100.4 °F
• Punto de inflamación (°C): 35℃
• Punto de ebullición (°C): 146°C
• Punto de fusión (°C): -45°C
• Peso molecular: 132.160 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 132.079 Da
• Monoisotopic Mass: 132.079 Da
• Topological Polar Surface Area: 27.700 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 74.400
• 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

Referencias

1. Lihuan Xu, Fang Yang, Chang Su, Lvlv Ji, Cheng Zhang.  (2014)  Synthesis and properties of novel TEMPO-contained polypyrrole derivatives as the cathode material of organic radical battery.  ELECTROCHIMICA ACTA,      [PMID:] [10.1016/j.electacta.2014.03.017]

2. Zhihong Zhang, Guijuan Li, Fufeng Yan, Zhonghou Zhang, Shaoming Fang.  (2012)  Highly Sensitive Functionalized Conducting Copolypyrrole Film for DNA Sensing and Protein-resistant.  CHINESE JOURNAL OF CHEMISTRY,  30  (2): (259-266).  [PMID:] [10.1002/cjoc.201100078]

3. Zhijiao Huang, Yong Liu, Lungang Chen, Xinghua Zhang, Jianguo Liu, Chenguang Wang, Qi Zhang, Longlong Ma.  (2024)  Selective hydrodeoxygenation of 5-hydromethylfurfural to 2,5-dimethylfuran over PtFe/C catalyst.  Molecular Catalysis,      [PMID:] [10.1016/j.mcat.2024.114169]