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CAS 5445-29-4

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Octanoic acid, 2-bromo-, ethyl ester

Description:
Octanoic acid, 2-bromo-, ethyl ester, also known by its CAS number 5445-29-4, is an organic compound that belongs to the class of esters. It is derived from octanoic acid, a medium-chain fatty acid, and features a bromine atom at the second carbon position of the octanoic acid chain. 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 introduces unique reactivity, making it useful in various chemical synthesis applications, particularly in organic chemistry. Octanoic acid derivatives are often studied for their potential biological activities, including antimicrobial properties. Safety data indicates that, like many brominated compounds, it should be handled with care due to potential toxicity and environmental concerns. Proper storage and handling protocols are essential to mitigate risks associated with exposure.
Formula:C10H19BrO2
InChI:InChI=1S/C10H19BrO2/c1-3-5-6-7-8-9(11)10(12)13-4-2/h9H,3-8H2,1-2H3
InChI key:InChIKey=JIQJOKSCSVMZAN-UHFFFAOYSA-N
SMILES:C(C(OCC)=O)(CCCCCC)Br
Synonyms:
  • 2-Bromo-octanoic acid ethyl ester
  • 2-Bromooctanoic acid ethyl ester
  • Alpha-Bromo-Octanoic Acid Ethyl Ester
  • Ethyl 2-bromocaprylate
  • Ethyl 2-bromooctanoate, 98+%
  • Ethyl 2-caprylate
  • Ethyl α-bromocaprylate
  • NSC 21989
  • Octanoic acid, 2-bromo-, ethyl ester
  • Octanoic acid, 2-bromoethyl ester
  • See more synonyms
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