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

CAS: 939533-80-9 Cat. No.: P635236 Molecular Weight: 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

Synonyms

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

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: 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
• Isomeric SMILES: CCC(=O)OC1=C(C=C(C=C1)C)Br
• PubChem CID: 19184220
• Molecular Weight: 243.1

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Phenol esters

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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