4,5-Dimethylfurfural - ≥97% , CAS No.52480-43-0

CAS: 52480-43-0 Cat. No.: D154278 Peso molecular: 124.14 Beilstein Registry Number: 17(5)9,428 Número EC: 672-145-3

GRADE & PURITY ≥97%

Synonyms

D2639 | GEO-01189 | SCHEMBL752776 | J-640031 | 4,5-dimethyl-2-furaldehyde | 4,5-dimethyl-2-furancarboxaldehyde | MFCD00085030 | InChI=1/C7H8O2/c1-5-3-7(4-8)9-6(5)2/h3-4H,1-2H | 4,5-dimethyl-2-furancarbaldehyde | 4.5-Dimethyl-2-furaldehyde | DTXSID70349175

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Descripción general

2,6-Dimethyl-4-pyrrone has been reported to undergo photochemical rearrangement to afford 4,5-dimethyl-2-furaldehyde. Mechanism of this photorearrangement has been described.

Specifications

Sinónimos

D2639 | GEO-01189 | SCHEMBL752776 | J-640031 | 4, 5-dimethyl-2-furaldehyde | 4, 5-dimethyl-2-furancarboxaldehyde | MFCD00085030 | InChI=1/C7H8O2/c1-5-3-7(4-8)9-6(5)2/h3-4H, 1-2H | 4, 5-dimethyl-2-furancarbaldehyde | 4.5-Dimethyl-2-furaldehyde | DTXSID70349175

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: CC1=C(OC(=C1)C=O)C
• IUPAC Name: 4,5-dimethylfuran-2-carbaldehyde
• InChIKey: JPTPEPVCVXGNJM-UHFFFAOYSA-N
• INCHI: 1S/C7H8O2/c1-5-3-7(4-8)9-6(5)2/h3-4H,1-2H3
• Isómeros SMILES: CC1=C(OC(=C1)C=O)C
• WGK Alemania: 3
• Peso molecular: 124.14
• Beilstein: 17(5)9,428
• Reaxy-Rn: 107585
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=107585&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Aldehydes
          • Level6 Aryl-aldehydes

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Aldehydes
• Direct Parent: Aryl-aldehydes
• Alternative Parents: Heteroaromatic compounds Furans Oxacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aryl-aldehyde - Heteroaromatic compound - Furan - Oxacycle - Organoheterocyclic compound - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aryl-aldehydes. These are compounds containing an aldehyde group directly attached to an aromatic ring.
• 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

• Sensibilidad: light & Moisture & air sensitive
• Índice de refracción: 1.53
• Punto de inflamación (°F): 150.8 °F
• Punto de inflamación (°C): 66°C(lit.)
• Punto de ebullición (°C): 100°C/12mmHg(lit.)
• Peso molecular: 124.140 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 124.052 Da
• Monoisotopic Mass: 124.052 Da
• Topological Polar Surface Area: 30.200 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 111.000
• 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