2,3-Dimethylfuran - ≥98% , CAS No.14920-89-9

CAS: 14920-89-9 Cat. No.: D154960 Formule: C₆H₈O Poids moléculaire: 96.13 Beilstein Registry Number: 17(3/4)287 Numéro CE: 626-651-6

QUALITÉ & PURETÉ ≥98%

Synonyms

DTXSID301027759 | 2,3-Dimethylfuran | 2,3-Dimethyl-furan | J-640029 | MFCD00153893 | 2,3-Dimethylfuran, 99% | EINECS 249-235-2 | Furan, dimethyl- | FT-0609713 | InChI=1/C6H8O/c1-5-3-4-7-6(5)2/h3-4H,1-2H | STL557088 | Furan, 2,3-dimethyl- | GEO-01190 | F30

Storage

Store at 2-8°C

Shipped In

Wet ice

Vue d’ensemble

2,3-Dimethylfuran is a methyl substituted furan. The gas-phase rate constant determined by the relative rate method for the reaction of 2,3-dimethylfuran with NO3 radical was found to be (5.83 ± 0.46)×10-11 and with OH radical was (12.6 ± 0.4)×10-11 (in units of cm3 molecule-1 s-1). It is reported to be formed by the cyclization of (Z)-3-methylpent-2-en-4-yn-1-ol by various methods.

Spécifications

Synonymes

DTXSID301027759 | 2,3-Dimethylfuran | 2,3-Dimethyl-furan | J-640029 | MFCD00153893 | 2,3-Dimethylfuran, 99% | EINECS 249-235-2 | Furan, dimethyl- | FT-0609713 | InChI=1/C6H8O/c1-5-3-4-7-6(5)2/h3-4H,1-2H | STL557088 | Furan, 2,3-dimethyl- | GEO-01190 | F30

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Noms et identifiants

Pubchem Sid

528755304

Sourires canoniques

CC1=C(OC=C1)C

IUPAC Name

2,3-dimethylfuran

InChIKey

FJSKXQVRKZTKSI-UHFFFAOYSA-N

INCHI

1S/C6H8O/c1-5-3-4-7-6(5)2/h3-4H,1-2H3

Isomères SMILES

CC1=C(OC=C1)C

WGK Allemagne

3

Poids moléculaire

96.13

Beilstein

17(3/4)287

Reaxy-Rn

104572

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=104572&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Heteroaromatic compounds

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Description: 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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Insoluble in water.
• Sensibilité: Heat sensitive
• Indice de réfraction: 1.44
• Point d'éclair (°F): 30.2 °F
• Point d'éclair (°C): -1°C(lit.)
• Point d'ébullition (°C): 42°/115mm
• Poids moléculaire: 96.130 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 96.0575 Da
• Monoisotopic Mass: 96.0575 Da
• Topological Polar Surface Area: 13.100 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 61.200
• 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