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CAS 646506-50-5

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N-(1-Ethynylcyclohexyl)-N′-(2,2,2-trichloro-1-hydroxyethyl)urea

Description:
N-(1-Ethynylcyclohexyl)-N′-(2,2,2-trichloro-1-hydroxyethyl)urea, identified by its CAS number 646506-50-5, is a synthetic organic compound that belongs to the class of ureas. This compound features a urea functional group, which is characterized by the presence of two amine groups bonded to a carbonyl carbon. Its structure includes an ethynyl group, which contributes to its reactivity and potential applications in organic synthesis. The presence of the trichloro-1-hydroxyethyl moiety suggests that it may exhibit significant biological activity, possibly as a herbicide or pesticide, due to the chlorinated substituents that can enhance lipophilicity and biological interactions. The compound is likely to be solid at room temperature and may have moderate solubility in organic solvents. Safety and handling precautions are essential, as the trichloro group can pose environmental and health risks. Overall, this compound's unique structure may offer interesting properties for research and application in agrochemicals or pharmaceuticals.
Formula:C11H15Cl3N2O2
InChI:InChI=1S/C11H15Cl3N2O2/c1-2-10(6-4-3-5-7-10)16-9(18)15-8(17)11(12,13)14/h1,8,17H,3-7H2,(H2,15,16,18)
InChI key:InChIKey=GLYDJUZASDUQPO-UHFFFAOYSA-N
SMILES:N(C(NC(C(Cl)(Cl)Cl)O)=O)C1(C#C)CCCCC1
Synonyms:
  • Urea, N-(1-ethynylcyclohexyl)-N′-(2,2,2-trichloro-1-hydroxyethyl)-
  • N-(1-Ethynylcyclohexyl)-N′-(2,2,2-trichloro-1-hydroxyethyl)urea
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