ethyl 5-bromo-3-ethyl-isoxazole-4-carboxylate - ≥97% , CAS No.2114330-05-9

CAS: 2114330-05-9 Cat. No.: E631696 Molecular Weight: 248.07 PubChem CID: 145944972

GRADE & PURITY ≥97%

Synonyms

ethyl 5-bromo-3-ethyl-isoxazole-4-carboxylate | 2114330-05-9 | Ethyl 5-bromo-3-ethylisoxazole-4-carboxylate | MFCD32661385 | AS-79546 | P20826 | ethyl 5-bromo-3-ethyl-1,2-oxazole-4-carboxylate

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

ethyl 5-bromo-3-ethyl-isoxazole-4-carboxylate | 2114330-05-9 | Ethyl 5-bromo-3-ethylisoxazole-4-carboxylate | MFCD32661385 | AS-79546 | P20826 | ethyl 5-bromo-3-ethyl-1, 2-oxazole-4-carboxylate

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CCC1=NOC(=C1C(=O)OCC)Br
• IUPAC Name: ethyl 5-bromo-3-ethyl-1,2-oxazole-4-carboxylate
• InChIKey: JMTROWDKYFXJCT-UHFFFAOYSA-N
• INCHI: 1S/C8H10BrNO3/c1-3-5-6(7(9)13-10-5)8(11)12-4-2/h3-4H2,1-2H3
• PubChem CID: 145944972
• Molecular Weight: 248.07

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Fatty Acyls
      • Subclass Fatty acid esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Fatty Acyls
• Subclass: Fatty acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty acid esters
• Alternative Parents: Vinylogous halides Isoxazoles Heteroaromatic compounds Enoate esters Vinyl bromides Oxacyclic compounds Monocarboxylic acids and derivatives Bromoalkenes Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Fatty acid ester - Heteroaromatic compound - Vinylogous halide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Isoxazole - Azole - Carboxylic acid ester - Oxacycle - Azacycle - Bromoalkene - Haloalkene - Organoheterocyclic compound - Vinyl halide - Vinyl bromide - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid.
• 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