
CAS 1131594-18-7
:3-Bromo-4-hexylbenzoic acid
Description:
3-Bromo-4-hexylbenzoic acid is an organic compound characterized by its aromatic structure, which includes a bromine substituent and a hexyl chain attached to a benzoic acid moiety. The presence of the bromine atom introduces notable reactivity and influences the compound's physical properties, such as solubility and melting point. The hexyl group contributes to the hydrophobic character of the molecule, affecting its interactions in various solvents and biological systems. As a benzoic acid derivative, it possesses a carboxylic acid functional group, which can participate in hydrogen bonding and may influence its acidity and reactivity in chemical reactions. This compound may be of interest in fields such as materials science, pharmaceuticals, or organic synthesis, where its unique structural features can be exploited for specific applications. Additionally, the compound's CAS number, 1131594-18-7, allows for precise identification and retrieval of information in chemical databases. Overall, 3-Bromo-4-hexylbenzoic acid exhibits a combination of aromaticity, functional group reactivity, and hydrophobic characteristics.
Formula:C13H17BrO2
InChI:InChI=1S/C13H17BrO2/c1-2-3-4-5-6-10-7-8-11(13(15)16)9-12(10)14/h7-9H,2-6H2,1H3,(H,15,16)
InChI key:InChIKey=LTPUITTYIDEWCO-UHFFFAOYSA-N
SMILES:C(CCCCC)C1=C(Br)C=C(C(O)=O)C=C1
Synonyms:- Benzoic acid, 3-bromo-4-hexyl-
- 3-Bromo-4-hexylbenzoic acid
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