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CAS 107-59-5

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tert-Butyl chloroacetate

Description:
Tert-Butyl chloroacetate is an organic compound characterized by its ester functional group, specifically an acetate, where the tert-butyl group is attached to the oxygen atom. It has the molecular formula C5H9ClO2 and a molecular weight that reflects its structure. This compound typically appears as a colorless to pale yellow liquid with a characteristic odor. It is known for its moderate volatility and is soluble in organic solvents such as ether and chloroform, but has limited solubility in water. Tert-Butyl chloroacetate is primarily used in organic synthesis, particularly as a reagent in the preparation of various chemical intermediates and in the production of pharmaceuticals. It is important to handle this compound with care, as it can be irritating to the skin and eyes, and proper safety measures should be taken to avoid inhalation or ingestion. Additionally, it is classified as a hazardous substance, necessitating appropriate storage and disposal practices in accordance with regulatory guidelines.
Formula:C6H11ClO2
InChI:InChI=1S/C6H11ClO2/c1-6(2,3)9-5(8)4-7/h4H2,1-3H3
InChI key:InChIKey=KUYMVWXKHQSIAS-UHFFFAOYSA-N
SMILES:O(C(C)(C)C)C(CCl)=O
Synonyms:
  • 1,1-Dimethylethyl chloroacetate
  • Acetic acid, 2-chloro-, 1,1-dimethylethyl ester
  • Acetic acid, chloro-, 1,1-dimethylethyl ester
  • Acetic acid, chloro-, tert-butyl ester
  • Chloroacetic acid 1,1-dimethylethyl ester
  • Chloroacetic acid tert-butyl ester
  • NSC 87891
  • Tert Butyl Chloro acetic acid
  • tert-Butyl 2-chloroacetate
  • tert-Butyl chloroacetate
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