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89784-60-1

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89784-60-1 Structure

89784-60-1 Structure

Identification	Back Directory
[Name] pyraclofos
[CAS] 89784-60-1
[Synonyms] Bortage Thiophosphoric acid O-[1-(4-chlorophenyl)-1H-pyrazol-4-yl]O-ethyl S-propyl ester
[Molecular Formula] C14H18ClN2O3PS
[MOL File] 89784-60-1.mol
[Molecular Weight] 360.8

Chemical Properties	Back Directory
[Boiling point ] 453.5±51.0 °C(Predicted)
[density ] 1.33±0.1 g/cm3(Predicted)
[form ] neat
[pka] -1.95±0.10(Predicted)
[InChI] 1S/C14H18ClN2O3PS/c1-3-9-22-21(18,19-4-2)20-14-10-16-17(11-14)13-7-5-12(15)6-8-13/h5-8,10-11H,3-4,9H2,1-2H3
[InChIKey] QHGVXILFMXYDRS-UHFFFAOYSA-N
[EPA Substance Registry System] Phosphorothioic acid, O-[1-(4-chlorophenyl)-1H-pyrazol-4-yl] O-ethyl S-propyl ester (89784-60-1)

Safety Data	Back Directory
[Symbol(GHS) ] GHS06
[Signal word ] Danger
[Hazard statements ] H301
[Precautionary statements ] P301+P310
[Hazard Codes ] Xn
[Risk Statements ] 22
[RIDADR ] UN 2811 6.1 / PGIII
[WGK Germany ] 3
[RTECS ] TE8347000
[Storage Class] 6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects
[Hazard Classifications] Acute Tox. 3 Oral

Hazard Information	Back Directory
[Uses] Refer to the productμs Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.
[Definition] ChEBI: Pyraclofos is an organic thiophosphate, an organothiophosphate insecticide, an organochlorine insecticide, a member of pyrazoles, a member of monochlorobenzenes and an organosulfur compound. It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor and an agrochemical.
[Production Methods] The synthesis of pyraclofos involves constructing its complex structure through a multi-step process centered around phosphorothioate ester formation. The key intermediate is 1-(4-chlorophenyl)-1H-pyrazol-4-ol, which is first reacted with ethyl chlorophosphate to introduce the O-ethyl phosphorothioate group. This intermediate is then coupled with propyl mercaptan under controlled conditions to yield the final product: O-[1-(4-chlorophenyl)-1H-pyrazol-4-yl] O-ethyl S-propyl phosphorothioate. The reaction typically requires an inert atmosphere and a base such as triethylamine to neutralise byproducts.
[Mechanism of action] Respiratory, contact and stomach action. Acetylcholinesterase inhibitor.
[Pesticide Type] Insecticide; Nematicide; Veterinary substance

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