(2-bromo-4-methyl-phenyl) propanoate - ≥97% , CAS No.939533-80-9

CAS: 939533-80-9 Cat. No.: P635236 Peso molecular: 243.1 PubChem CID: 19184220

GRADE & PURITY ≥97%

Synonyms

(2-bromo-4-methyl-phenyl) propanoate | 939533-80-9 | SCHEMBL23887393 | AKOS003027718 | 2-BROMO-4-METHYLPHENYL PROPANOATE | F78322

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

(2-bromo-4-methyl-phenyl) propanoate | 939533-80-9 | SCHEMBL23887393 | AKOS003027718 | 2-BROMO-4-METHYLPHENYL PROPANOATE | F78322

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: CCC(=O)OC1=C(C=C(C=C1)C)Br
• IUPAC Name: (2-bromo-4-methylphenyl) propanoate
• InChIKey: PRPRTIJMLABJHC-UHFFFAOYSA-N
• INCHI: 1S/C10H11BrO2/c1-3-10(12)13-9-5-4-7(2)6-8(9)11/h4-6H,3H2,1-2H3
• Isómeros SMILES: CCC(=O)OC1=C(C=C(C=C1)C)Br
• PubChem CID: 19184220
• Peso molecular: 243.1

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Phenol esters

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenol esters
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol esters
• Alternative Parents: Phenoxy compounds Toluenes Bromobenzenes Aryl bromides Carboxylic acid esters Monocarboxylic acids and derivatives Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenol ester - Phenoxy compound - Bromobenzene - Halobenzene - Toluene - Aryl bromide - Monocyclic benzene moiety - Aryl halide - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organooxygen compound - Organobromide - Organohalogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenol esters. These are aromatic compounds containing a benzene ring substituted by a hydroxyl group and an ester group.
• 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