2,4-Dimetiloxazol - ≥98%(GC) , CAS No.7208-05-1

CAS: 7208-05-1 Cat. No.: D139217 Peso molecular: 97.12 Beilstein Registry Number: 27(2)10 Número EC: 679-861-5

GRADE & PURITY ≥98%(GC)

Synonyms

AKOS006280508 | CHEBI:195692 | Oxazole, 2,4-dimethyl- | 2,4-dimethyl oxazole | FT-0657045 | D3766 | MFCD00234124 | 2,4-Dimethyl-1,3-oxazole | InChI=1/C5H7NO/c1-4-3-7-5(2)6-4/h3H,1-2H | A837415 | T71266 | FT-0654587 | G0W5QQT2LD | UNII-G0W5QQT2LD | EN300-1

Storage

Conservar a 2-8°C,cargado con argón

Shipped In

Hielo húmedo

Specifications

Sinónimos

AKOS006280508 | CHEBI:195692 | Oxazole, 2, 4-dimethyl- | 2, 4-dimethyl oxazole | FT-0657045 | D3766 | MFCD00234124 | 2, 4-Dimethyl-1, 3-oxazole | InChI=1/C5H7NO/c1-4-3-7-5(2)6-4/h3H, 1-2H | A837415 | T71266 | FT-0654587 | G0W5QQT2LD | UNII-G0W5QQT2LD | EN300-1

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Conservar a 2-8°C, cargado con argón

Enviado en

Hielo húmedo

Pureza

≥98%(GC)

Nombres e identificadores

• Sonrisas canónicas: CC1=COC(=N1)C
• IUPAC Name: 2,4-dimethyl-1,3-oxazole
• InChIKey: PSOZJOZKEVZLKZ-UHFFFAOYSA-N
• INCHI: 1S/C5H7NO/c1-4-3-7-5(2)6-4/h3H,1-2H3
• Isómeros SMILES: CC1=COC(=N1)C
• Peso molecular: 97.12
• Beilstein: 27(2)10
• Reaxy-Rn: 106413
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=106413&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Azoles
      • Subclass Oxazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azoles
• Subclass: Oxazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: 2,4-disubstituted oxazoles
• Alternative Parents: Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2,4-disubstituted 1,3-oxazole - Heteroaromatic compound - Oxacycle - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 2,4-disubstituted oxazoles. These are compounds containing an oxazole ring substituted at positions 2 and 4 only. Oxazole is a five-membered aromatic heterocycle with one oxygen, one nitrogen, and three carbon atoms. Isomers include 1,2-oxazole and 1,3-oxazole.
• 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: Air Sensitive
• Índice de refracción: 1.43
• Punto de inflamación (°C): 35 °C
• Punto de ebullición (°C): 108 °C
• Peso molecular: 97.120 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 97.0528 Da
• Monoisotopic Mass: 97.0528 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 65.099
• 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