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CAS 5333-88-0

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Heptanoic acid, 2-bromo-, ethyl ester

Description:
Heptanoic acid, 2-bromo-, ethyl ester, also known by its CAS number 5333-88-0, is an organic compound characterized by its ester functional group derived from heptanoic 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 but has limited solubility in water due to its hydrophobic heptane chain. The presence of the bromine atom introduces unique reactivity, making it useful in various chemical syntheses, particularly in the production of pharmaceuticals and agrochemicals. The compound's boiling point and melting point are influenced by its molecular structure, which includes a medium-length carbon chain. Heptanoic acid derivatives are often studied for their potential applications in flavoring, fragrance, and as intermediates in organic synthesis. 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:C9H17BrO2
InChI:InChI=1S/C9H17BrO2/c1-3-5-6-7-8(10)9(11)12-4-2/h8H,3-7H2,1-2H3
InChI key:InChIKey=GNCLPIAYAPQPOU-UHFFFAOYSA-N
SMILES:C(C(OCC)=O)(CCCCC)Br
Synonyms:
  • 2-{[1-(4-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]carbonyl}-3-(1-cyclopropyl-2,5-dimethyl-1H-pyrrol-3-yl)prop-2-enenitrile
  • Ai3-37648
  • Enanthic acid, α-bromo-, ethyl ester
  • Heptanoic acid, 2-bromo-, ethyl ester
  • NSC 2356
  • Ethyl 2-bromoheptanoate
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