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CAS 261959-20-0

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O-[6-(Methoxymethyl)-2-[4-(trifluoromethyl)phenyl]-4-pyrimidinyl] O,O-dimethyl phosphorothioate

Description:
O-[6-(Methoxymethyl)-2-[4-(trifluoromethyl)phenyl]-4-pyrimidinyl] O,O-dimethyl phosphorothioate is a chemical compound characterized by its complex structure, which includes a pyrimidine ring substituted with a methoxymethyl group and a trifluoromethylphenyl moiety. This compound belongs to the class of organophosphates, which are known for their applications in agriculture as pesticides and herbicides. The presence of the phosphorothioate functional group indicates that it may exhibit biological activity, potentially acting as an inhibitor of certain enzymes or receptors. Its trifluoromethyl group enhances lipophilicity, which can influence its bioavailability and interaction with biological systems. Additionally, the methoxymethyl group may contribute to the compound's stability and solubility in organic solvents. Safety and handling precautions are essential due to the potential toxicity associated with organophosphates, necessitating careful assessment of its environmental impact and regulatory compliance. Overall, this compound exemplifies the intricate design often found in agrochemical substances, balancing efficacy with safety considerations.
Formula:C15H16F3N2O4PS
InChI:InChI=1S/C15H16F3N2O4PS/c1-21-9-12-8-13(24-25(26,22-2)23-3)20-14(19-12)10-4-6-11(7-5-10)15(16,17)18/h4-8H,9H2,1-3H3
InChI key:InChIKey=VALQXUCACZQTJR-UHFFFAOYSA-N
SMILES:O(P(OC)(OC)=S)C1=NC(=NC(COC)=C1)C2=CC=C(C(F)(F)F)C=C2
Synonyms:
  • Phosphorothioic acid, O-[6-(methoxymethyl)-2-[4-(trifluoromethyl)phenyl]-4-pyrimidinyl] O,O-dimethyl ester
  • O-[6-(Methoxymethyl)-2-[4-(trifluoromethyl)phenyl]-4-pyrimidinyl] O,O-dimethyl phosphorothioate
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