CAS 89987-31-5

Phosphonic acid, [[(4-chlorophenyl)thio]methylene]bis-, tetrakis(1-methylethyl) ester

Description:

Phosphonic acid, [[(4-chlorophenyl)thio]methylene]bis-, tetrakis(1-methylethyl) ester, identified by CAS number 89987-31-5, is an organophosphorus compound characterized by its phosphonic acid functional group and ester linkages. This compound features a central phosphorus atom bonded to four alkyl groups, specifically tetrakis(1-methylethyl) groups, which contribute to its hydrophobic properties. The presence of the 4-chlorophenylthio group introduces aromatic characteristics and potential reactivity, making it of interest in various chemical applications. The compound is likely to exhibit moderate to high stability under standard conditions, but may be sensitive to hydrolysis, particularly in the presence of water or strong acids/bases. Its unique structure suggests potential utility in agrochemicals, pharmaceuticals, or as a chemical intermediate. Additionally, the chlorophenyl moiety may impart specific biological activity, warranting further investigation into its ecological and toxicological profiles. Overall, this compound exemplifies the diverse chemistry of phosphonic acids and their derivatives.

Formula: C₁₉H₃₃ClO₆P₂S

InChI: InChI=1S/C19H33ClO6P2S/c1-13(2)23-27(21,24-14(3)4)19(29-18-11-9-17(20)10-12-18)28(22,25-15(5)6)26-16(7)8/h9-16,19H,1-8H3

InChI key: InChIKey=UHDQXYNMXUABLW-UHFFFAOYSA-N

SMILES: P(C(P(OC(C)C)(OC(C)C)=O)SC1=CC=C(Cl)C=C1)(OC(C)C)(OC(C)C)=O

Synonyms:

• Tetraisopropyl (4-chlorophenylthiomethylene)bisphosphonate
• 1-[Bis[di(propan-2-yloxy)phosphoryl]methylsulfanyl]-4-chlorobenzene
• Phosphonic acid, [[(4-chlorophenyl)thio]methylene]bis-, tetrakis(1-methylethyl) ester