Oxazole - ≥98% , CAS No.288-42-6

CAS: 288-42-6 Cat. No.: O100893 Fórmula: C₃H₃NO Peso molecular: 69.06 Beilstein Registry Number: 103851 Número EC: 206-020-8

CALIDAD & PUREZA ≥98%

Synonyms

oxazol|OXAZOLE|1,3-Oxazole|Oxazoles|3-Azafuran

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Descripción general

Oxazole ring is present in various natural products. The diradical interactions in the ring-opening reaction of oxazole were studied

Especificaciones

Sinónimos

oxazol | OXAZOLE | 1,3-Oxazole | Oxazoles | 3-Azafuran

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C,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

≥98%

Nombres e identificadores

Pubchem Sid

488180955

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488180955

Sonrisas canónicas

C1=COC=N1

IUPAC Name

1,3-oxazole

InChIKey

ZCQWOFVYLHDMMC-UHFFFAOYSA-N

INCHI

1S/C3H3NO/c1-2-5-3-4-1/h1-3H

Isómeros SMILES

C1=COC=N1

WGK Alemania

3

Número ONU

1993

Peso molecular

69.06

Beilstein

103851

Reaxy-Rn

103851

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=103851&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: Oxazoles
• Alternative Parents: Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Heteroaromatic compound - Oxazole - 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 oxazoles. These are compounds containing an oxazole ring, which 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: 1,3-oxazoles - mancude organic heteromonocyclic parent - monocyclic heteroarene

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Miscible with alcohol and ether. Slightly miscible with water.
• Sensibilidad: air sensitive
• Índice de refracción: 1.4285
• Punto de inflamación (°F): 66.2 °F
• Punto de inflamación (°C): 19°C
• Punto de ebullición (°C): 70°C
• Punto de fusión (°C): -86°C
• Peso molecular: 69.060 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 69.0215 Da
• Monoisotopic Mass: 69.0215 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 30.100
• 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 288-42-6, the molecular formula is C3H3NO, and the molecular weight is 69.06 g/mol. InChIKey ZCQWOFVYLHDMMC-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.