CAS 99578-85-5

Phosphonic acid, [[2-(trifluoromethyl)phenyl]methyl]-, diethyl ester

Description:

Phosphonic acid, [[2-(trifluoromethyl)phenyl]methyl]-, diethyl ester, identified by CAS number 99578-85-5, is an organophosphorus compound characterized by its phosphonic acid functional group and diethyl ester moiety. This compound features a trifluoromethyl-substituted phenyl group, which contributes to its unique chemical properties, including increased lipophilicity and potential biological activity. The presence of the diethyl ester enhances its reactivity, making it a useful intermediate in organic synthesis and potentially in agrochemical applications. The trifluoromethyl group is known to influence the compound's electronic properties, potentially affecting its interactions with biological targets. Additionally, phosphonic acids are often studied for their role in various chemical processes, including as herbicides or in the development of pharmaceuticals. Safety and handling precautions are essential due to the potential toxicity associated with organophosphorus compounds. Overall, this substance exemplifies the diverse applications and significance of phosphonic acid derivatives in both industrial and research settings.

Formula: C₁₂H₁₆F₃O₃P

InChI: InChI=1S/C12H16F3O3P/c1-3-17-19(16,18-4-2)9-10-7-5-6-8-11(10)12(13,14)15/h5-8H,3-4,9H2,1-2H3

InChI key: FZKWHEREYLVQKG-UHFFFAOYSA-N

SMILES: CCOP(=O)(CC1=CC=CC=C1C(F)(F)F)OCC

Diethyl 2-(trifluoromethyl)benzylphosphonate

CAS: 99578-85-5

Formula: C₁₂H₁₆F₃O₃P

Purity: 98%

Molecular weight: 296.226

Ref: 10-F102013