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

CAS: 7208-05-1 Cat. No.: D139217 Fórmula: C₅H₇NO Peso molecular: 97.12 Beilstein Registry Number: 27(2)10 Número CE: 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

Store at 2-8°C,Argon charged

Shipped In

Wet ice

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

Especificações e pureza

≥98%(GC)

Condições de armazenamento de armazenamento

Store at 2-8°C,Argon charged

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%(GC)

Nomes e identificadores

Pubchem Sid

528755470

Sorrisos canónicos

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

SMILES isoméricas

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
    • Classe Azoles
      • Subclass Oxazoles

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

Propriedades químicas e físicas

• Sensibilidade: Air Sensitive
• Índice de refração: 1.43
• Ponto de inflamação (°C): 35 °C
• Ponto de ebulição (°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