2-Methylfuran - ≥98% , CAS No.534-22-5

CAS: 534-22-5 Cat. No.: M110932 Fórmula: C₅H₆O Peso molecular: 82.1 Beilstein Registry Number: 103733 Número EC: 208-594-5

CALIDAD & PUREZA ≥98%

Synonyms

5-17-01-00322 (Beilstein Handbook Reference) | 5-Methylfuran | EINECS 208-594-5 | Silvan | .alpha.-Methylfuran | 2methylfuran | 2-METHYLFURAN | 2-METHYL-FURAN | Silvan [Czech] | UNII-51O3BGW3F2 | 2-Methylfuran 100 microg/mL in Acetonitrile | J-510050 | NS

Storage

Protected from light,Room temperature,Argon charged

Shipped In

FedEx DG Service

Descripción general

2-Methylfuran, a substituted furan, is considered as a potential alternative fuel for internal combustion engines. Its microwave spectrum has been analyzed. The synthesis of 2-MF from carbon sources under different reaction conditions have been reported.

2-Methylfuran may be used in the synthesis of exo-cis-1-methyl-7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic anhydride via Diels-Alder reaction with maleic anhydride.

Especificaciones

Sinónimos

5-17-01-00322 (Beilstein Handbook Reference) | 5-Methylfuran | EINECS 208-594-5 | Silvan | .alpha.-Methylfuran | 2methylfuran | 2-METHYLFURAN | 2-METHYL-FURAN | Silvan [Czech] | UNII-51O3BGW3F2 | 2-Methylfuran 100 microg/mL in Acetonitrile | J-510050 | NS

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Protected from light,Room temperature,Argon charged

Enviado en

FedEx DG Service

Pureza

≥98%

Nombres e identificadores

Pubchem Sid

504752006

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752006

Sonrisas canónicas

CC1=CC=CO1

IUPAC Name

2-methylfuran

InChIKey

VQKFNUFAXTZWDK-UHFFFAOYSA-N

INCHI

1S/C5H6O/c1-5-3-2-4-6-5/h2-4H,1H3

Isómeros SMILES

CC1=CC=CO1

WGK Alemania

1

RTECS

LU2625000

Número ONU

2301

Grupo de embalaje

II

Peso molecular

82.1

Beilstein

103733

Reaxy-Rn

103733

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=103733&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Heteroaromatic compounds

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: 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
• Descripción: 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

Objetivos asociados (humanos)

TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

Discover Target: TP53

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

Objetivos asociados (no humanos)

Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in DMSO and Methanol
• Sensibilidad: Light & air sensitive.
• Índice de refracción: 1.4332
• Punto de inflamación (°F): -26℃
• Punto de inflamación (°C): -26℃
• Punto de ebullición (°C): 63-66°C
• Punto de fusión (°C): -88.68°C
• Peso molecular: 82.100 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 82.0419 Da
• Monoisotopic Mass: 82.0419 Da
• Topological Polar Surface Area: 13.100 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 43.200
• 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