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CAS 36727-29-4

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3,5,5-Trimethylhexanoyl chloride

Description:
3,5,5-Trimethylhexanoyl chloride, with the CAS number 36727-29-4, is an acyl chloride derivative characterized by its reactivity and functional group presence. It features a hexanoyl backbone with three methyl groups located at the 3rd and 5th positions, contributing to its branched structure. This compound is typically a colorless to pale yellow liquid, exhibiting a pungent odor typical of acyl chlorides. It is known for its high reactivity, particularly towards nucleophiles, making it useful in organic synthesis for the introduction of acyl groups into various substrates. The presence of the acyl chloride functional group (-COCl) allows for the formation of esters, amides, and other derivatives upon reaction with alcohols, amines, and other nucleophiles. Due to its reactivity, it must be handled with care, as it can react violently with water and other protic solvents, releasing hydrochloric acid. Additionally, it is important to consider safety precautions when working with this compound, as it can be corrosive and harmful upon exposure.
Formula:C9H17ClO
InChI:InChI=1S/C9H17ClO/c1-7(5-8(10)11)6-9(2,3)4/h7H,5-6H2,1-4H3
InChI key:InChIKey=GEKPNPPFAYJZRD-UHFFFAOYSA-N
SMILES:C(C(C)(C)C)C(CC(Cl)=O)C
Synonyms:
  • 2,4,4-Trimethylhexanoyl chloride
  • 3,5,5-Trimethylhexanoic acid chloride
  • 3,5,5-Trimethylhexanoyl Chloride
  • Hexanoyl chloride, 3,5,5-trimethyl-
  • Incl
  • Isononanoic acid chloride
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