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CAS 66411-55-0

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1,3-Benzodioxole-4-carbonyl chloride

Description:
1,3-Benzodioxole-4-carbonyl chloride, with the CAS number 66411-55-0, is an organic compound characterized by its unique structure, which includes a benzodioxole moiety and a carbonyl chloride functional group. This compound typically appears as a colorless to pale yellow liquid or solid, depending on its purity and specific conditions. It is known for its reactivity, particularly due to the presence of the carbonyl chloride group, which can participate in nucleophilic substitution reactions. This makes it a valuable intermediate in organic synthesis, particularly in the production of pharmaceuticals and agrochemicals. The compound is also sensitive to moisture and should be handled under anhydrous conditions to prevent hydrolysis, which can lead to the formation of hydrochloric acid and other byproducts. Additionally, it may exhibit moderate toxicity, necessitating appropriate safety precautions during handling and use. Overall, 1,3-Benzodioxole-4-carbonyl chloride is an important compound in synthetic organic chemistry with various applications.
Formula:C8H5ClO3
InChI:InChI=1S/C8H5ClO3/c9-8(10)5-2-1-3-6-7(5)12-4-11-6/h1-3H,4H2
InChI key:InChIKey=LVBLTFSJUMJXBI-UHFFFAOYSA-N
SMILES:C(Cl)(=O)C1=C2C(OCO2)=CC=C1
Synonyms:
  • Benzoyl chloride, 2,3-(methylenedioxy)-
  • 1,3-Benzodioxole-4-carbonyl chloride
  • 4-Benzodioxolecarbonyl chloride
  • 2,3-(Methylenedioxy)benzoyl chloride
  • 1,3-Benzodioxole-4-Carbonyl Chloride
  • 4-(Chlorocarbonyl)-1,3-benzodioxole
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