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CAS 5445-19-2

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Hexanoic acid, 2-bromo-, methyl ester

Description:
Hexanoic acid, 2-bromo-, methyl ester, with the CAS number 5445-19-2, is an organic compound characterized by its ester functional group derived from hexanoic acid and 2-bromopropanol. This compound typically appears as a colorless to pale yellow liquid with a distinctive odor. It is soluble in organic solvents and exhibits limited solubility in water due to its hydrophobic hexyl chain. The presence of the bromine atom introduces unique reactivity, making it a potential intermediate in organic synthesis, particularly in the production of pharmaceuticals and agrochemicals. Hexanoic acid derivatives are known for their applications in flavoring, fragrance, and as surfactants. The compound's molecular structure contributes to its physical properties, such as boiling and melting points, which are influenced by the length of the carbon chain and the presence of the bromine substituent. Safety data indicates that, like many brominated compounds, it should be handled with care due to potential toxicity and environmental concerns.
Formula:C7H13BrO2
InChI:InChI=1S/C7H13BrO2/c1-3-4-5-6(8)7(9)10-2/h6H,3-5H2,1-2H3
InChI key:InChIKey=YGLPDRIMFIXNBI-UHFFFAOYSA-N
SMILES:C(C(OC)=O)(CCCC)Br
Synonyms:
  • 2-Bromocaproic Acid Methyl Ester
  • 2-Bromohexanoic acid methyl ester
  • Hexanoic acid, 2-bromo-, methyl ester
  • Methyl (±)-2-bromocaproate
  • Methyl α-bromocaproate
  • NSC 21976
  • Methyl-2-bromohexanoate
  • Methyl 2-bromohexanoate
  • (±)-Methyl 2-bromohexanoate
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