ChemicalBook--->CAS DataBase List--->96182-53-5

96182-53-5

96182-53-5 Structure

96182-53-5 Structure
IdentificationBack Directory
[Name]

TEBUPIRIMFOS
[CAS]

96182-53-5
[Synonyms]

aztec
mat7484
Hsdb 7136
bay-mat7484
ebupirimfos
TEBUPIRIMFOS
tebupirimphos
Tebupirimfos [iso]
Tebupirimfos Solution, 100ppm
TEBUPIRIMFOS PESTANAL, 100 MG
Tebupirimfos 100mg [96182-53-5]
Tebupirimfos@1000 μg/mL in Acetone
Tebupirimfos @100 μg/mL in Methanol
O-(2-(tert-Butyl)pyrimidin-5-yl) O-ethyl O-isopropyl phosphorothioate
o-(2-(1,1-dimethylethyl)-5-pyrimidinyl)o-ethylo-(1-methylethyl)phosphoroth
phosphorothioicacid,o-(2-(1,1-dimethylethyl)-5-pyrimidinyl)o-ethylo-(1-meth
o-(2-(1,1-Dimethylethyl)-5-pyrimidinyl) o-ethyl o-(1-methylethyl) phosphorothioate
(2-tert-butylpyrimidin-5-yl)oxy-ethoxy-propan-2-yloxy-sulfanylidene-λ^{5}-phosphane
Phosphorothioic acid O-[2-(tert-butyl)-5-pyrimidinyl] O-ethyl O-(1-methylethyl) ester
phosphorothioicacid,o-(2-(1,1-dimethylethyl)-5-pyrimidinyl)o-ethylo-(1-methylethyl)ester
[Molecular Formula]

C13H23N2O3PS
[MDL Number]

MFCD01742641
[MOL File]

96182-53-5.mol
[Molecular Weight]

318.37
Chemical PropertiesBack Directory
[Boiling point ]

359℃
[density ]

1.146
[vapor pressure ]

5mPa(20℃)
[Fp ]

171℃
[storage temp. ]

2-8°C
[form ]

neat
[pka]

0.46±0.22(Predicted)
[Water Solubility ]

5.5mg/L(20℃, pH7)
[InChI]

1S/C13H23N2O3PS/c1-7-16-19(20,17-10(2)3)18-11-8-14-12(15-9-11)13(4,5)6/h8-10H,7H2,1-6H3
[InChIKey]

AWYOMXWDGWUJHS-UHFFFAOYSA-N
[SMILES]

CCOP(=S)(OC(C)C)Oc1cnc(nc1)C(C)(C)C
[EPA Substance Registry System]

Phostebupirim (96182-53-5)
Safety DataBack Directory
[Hazard Codes ]

T+,N
[Risk Statements ]

26/27/28-50/53
[Safety Statements ]

28-36/37-45-60-61
[RIDADR ]

UN 2810 6.1/PG 1
[WGK Germany ]

3
[RTECS ]

TF8750000
[HazardClass ]

6.1
[PackingGroup ]

I
[Storage Class]

6.1A - Combustible acute toxic Cat. 1 and 2
very toxic hazardous materials
[Hazard Classifications]

Acute Tox. 2 Oral
Aquatic Acute 1
[Hazardous Substances Data]

96182-53-5(Hazardous Substances Data)
Hazard InformationBack Directory
[Chemical Properties]

Phostebupirim is an amber-to-brown liquid. Phostebuprim hydrolyzes under alkaline conditions.Soluble in water at 5.5 mg/mL; completely miscible with all solvents tested at 20°C.
[Uses]

Tebupirimfos is an organophosphorous insecticide developped for soil application.
[Definition]

ChEBI: Tebupirimfos is an organic thiophosphate and an organothiophosphate insecticide. It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor. It is functionally related to a 2-tert-butylpyrimidin-5-ol.
[Synthesis]

The industrial synthesis of butylpyrimidine phosphorus is carried out by a one-pot method: first, 2-tert-butyl-5-hydroxypyrimidine reacts with trichlorophosphorus (PSCl₃) under alkaline catalysis to generate a thiophosphate chloride intermediate, and then the intermediate undergoes a two-step esterification reaction with ethanol and isopropanol to obtain Tebupirimfos.
[Toxicity evaluation]

The acute oral LD50 for rats is 1.3–3.6 mg/kg. Inhalation LC50 (4 h) for rats is 36–82 mg/m3 air. NOEL (2 yr) for rats is 1 mg/kg diet(0.05 mg/kg/d). ADI is 0.2 μg/kg b.w.
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