CAS 832739-27-2

1-(Difluoromethoxy)-2-isothiocyanato-4-methylbenzene

Description:

1-(Difluoromethoxy)-2-isothiocyanato-4-methylbenzene, with the CAS number 832739-27-2, is an organic compound characterized by its unique functional groups and aromatic structure. This compound features a difluoromethoxy group, which contributes to its reactivity and polarity, and an isothiocyanate group, known for its biological activity and potential applications in medicinal chemistry. The presence of a methyl group on the benzene ring influences its steric and electronic properties, potentially enhancing its lipophilicity. The difluoromethoxy substituent can also affect the compound's solubility and stability. Overall, this compound may exhibit interesting chemical behavior, making it a candidate for various applications, including agrochemicals and pharmaceuticals. Its synthesis and reactivity can be influenced by the presence of the isothiocyanate group, which is often involved in nucleophilic reactions. As with many organic compounds, safety and handling precautions should be observed due to potential toxicity associated with isothiocyanates.

Formula: C₉H₇F₂NOS

InChI: InChI=1S/C9H7F2NOS/c1-6-2-3-8(13-9(10)11)7(4-6)12-5-14/h2-4,9H,1H3

InChI key: InChIKey=VRVDSTNYPUVEPX-UHFFFAOYSA-N

SMILES: O(C(F)F)C1=C(N=C=S)C=C(C)C=C1

Synonyms:

• Benzene, 1-(difluoromethoxy)-2-isothiocyanato-4-methyl-
• 1-(Difluoromethoxy)-2-isothiocyanato-4-methylbenzene