CAS 4151-51-3: Phenol, 4-isocyanato-, 1,1′,1′′-phosphorothioate

Description: Phenol, 4-isocyanato-, 1,1′,1′′-phosphorothioate, commonly referred to by its CAS number 4151-51-3, is a chemical compound that exhibits both phenolic and isocyanate functional groups, along with a phosphorothioate moiety. This compound is typically characterized by its potential use in agricultural applications, particularly as a pesticide or herbicide, due to its ability to interact with biological systems. It is known for its moderate to high toxicity, necessitating careful handling and usage precautions. The presence of the isocyanate group suggests reactivity, particularly with nucleophiles, which can lead to the formation of various derivatives. Additionally, the phosphorothioate component indicates potential applications in organophosphate chemistry, often associated with inhibition of certain enzymes. The compound is generally stable under standard conditions but may decompose under extreme temperatures or in the presence of strong acids or bases. As with many chemicals of this nature, environmental persistence and bioaccumulation are important considerations in its use and regulation.

Formula: C₂₁H₁₂N₃O₆PS

InChI: InChI=1S/C21H12N3O6PS/c25-13-22-16-1-7-19(8-2-16)28-31(32,29-20-9-3-17(4-10-20)23-14-26)30-21-11-5-18(6-12-21)24-15-27/h1-12H

InChI key: InChIKey=KGLSETWPYVUTQX-UHFFFAOYSA-N

SMILES: O=C=NC1=CC=C(OP(=S)(OC2=CC=C(N=C=O)C=C2)OC3=CC=C(N=C=O)C=C3)C=C1

Synonyms:

• Desmodur RFE
• Isocyanic acid, p-hydroxyphenyl ester, phosphorothioate (3:1) (ester)
• O,O,O-tris(4-isocyanatophenyl) phosphorothioate
• Phenol, 4-isocyanato-, 1,1′,1′′-phosphorothioate
• Phenol, 4-isocyanato-, phosphorothioate (3:1) (ester)
• Phenol, p-isocyanato-, phosphorothioate (3:1) (ester)
• Phosphorothioic acid, O,O,O-tris(p-isocyanatophenyl) ester
• Thionophosphoric acid-tris-(p-isocyanatophenyl)
• Thiophosphoric acid tris(p-isocyanatophenyl ester)
• Thiophosphoric-Tris-(Р-Isocyanatophenyl Ester)
• Thiophosphoric-Tris-p-isocyanato-Phenyl Ester
• Tpti
• Tri(4-phenyl isocyanate) thiophosphate
• Tris (4-Isocyanatophenyl) Thiophosphate
• Tris(p-isocyanatophenyl) monosulfophosphate
• Tris(p-isocyanatophenyl) thiophosphate

Tris(4-isocyanatophenyl) thiophosphate

CAS: 4151-51-3

• Formula: C₂₁H₁₂N₃O₆PS
• Color and Shape: Solid
• Molecular weight: 465.3752

TRIS(4-ISOCYANATOPHENYL)THIOPHOSPHATE, 25-27% solution in ethyl acetate

CAS: 4151-51-3

• Formula: C₂₁H₁₂N₃O₆PS
• Color and Shape: Yellow To Amber Liquid
• Molecular weight: 465.38