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

CAS: 7208-05-1 Cat. No.: D139217 Formula: C₅H₇NO Peso molecolare: 97.12 Beilstein Registry Number: 27(2)10 Numero 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

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinonimi

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

Specifiche e purezza

≥98%(GC)

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Argon charged

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%(GC)

Nomi e identificatori

• Pubchem Sid: 528755470
• Sorrisi canonici: 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
• Isomeri SMILES: CC1=COC(=N1)C
• Peso molecolare: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Sensibilità: Air Sensitive
• Indice di rifrazione: 1.43
• Punto di infiammabilità (°C): 35 °C
• Punto di ebollizione (°C): 108 °C
• Peso molecolare: 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