CAS 5445-22-7
:Octanoic acid, 2-bromo-, methyl ester
Description:
Octanoic acid, 2-bromo-, methyl ester, with the CAS number 5445-22-7, is an organic compound that belongs to the class of fatty acid esters. It is derived from octanoic acid, a medium-chain fatty acid, and features a bromine atom substituted at the second carbon position. This compound typically appears as a colorless to pale yellow liquid with a characteristic fatty odor. It is soluble in organic solvents but has limited solubility in water due to its hydrophobic nature. The presence of the bromine atom can impart unique reactivity, making it useful in various chemical synthesis applications, including the production of pharmaceuticals and agrochemicals. Additionally, the methyl ester form indicates that it can undergo transesterification reactions, which are significant in biodiesel production and other esterification processes. Safety data should be consulted, as halogenated compounds can exhibit toxicity and environmental persistence. Overall, octanoic acid, 2-bromo-, methyl ester is a versatile compound with applications in organic synthesis and industrial chemistry.
Formula:C9H17BrO2
InChI:InChI=1S/C9H17BrO2/c1-3-4-5-6-7-8(10)9(11)12-2/h8H,3-7H2,1-2H3
InChI key:InChIKey=RCMQQTUVWBXJQS-UHFFFAOYSA-N
SMILES:C(CCCCCC)(C(OC)=O)Br
Synonyms:- 2-Bromooctanoic acid methyl ester
- Methyl2-bromooctanoate,99+%
- Octanoic acid, 2-bromo-, methyl ester
- Methyl 2-bromooctanoate
- NSC 21981
- 2-bromo-octanoicacimethylester
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