Basic information
- CAS
961-22-8- Standard SMILES
COP(=O)(OC)SCn1nnc2ccccc2c1=O- InChIKey
NYHRHBKYEVSBHJ-UHFFFAOYSA-N- Molecular formula
- C10H12N3O4PS
- Average molar mass
- 301.26 g/mol
- Monoisotopic mass
- 301.02861404
Overview
azinphosmethyl metabolite
Names & identifiers
- Preferred name
- Azinphosmethyl oxon
- IUPAC
- 3-(dimethoxyphosphorylsulfanylmethyl)-1,2,3-benzotriazin-4-one
- English name
- Azinphos-methyl oxon
- Molecular formula
- C10H12N3O4PS
- Molecular weight
- 301.26
Names & synonyms
Azinphosmethyl oxon961-22-8RefChem:560552GuthoxonAZINPHOS-METHYL OXONPhosphorothioic acid, O,O-dimethyl S-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl] esterGuthion oxonGutoxonDTXSID4058499Oxoazinphos methyl3-(dimethoxyphosphorylsulfanylmethyl)-1,2,3-benzotriazin-4-onePhosphorothioic acid, O,O-dimethyl S-((4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl) ester
Show more names
GUTHION OXYGEN ANALOGAzinphosmethyl oxygen analogAzinphos-methyl oxon Solutionazinphos-methyl oxygen analogueAzinphos-methyl oxon@100 μg/mL in TolueneAzinphos-methyl-oxon 10.0 μg/ml AcetonitrileAzinphos-methyl-oxon, 10 μg /μL in cyclohexane
NYHRHBKYEVSBHJ-UHFFFAOYSA-NAzinphos methyl oxonSCHEMBL7218836Phosphorothioic acid, O,O-dimethyl ester, S-ester with 3-(mercaptomethyl)-1,2,3-benzotriazin-4(3H)-oneNS00002935O,O-Dimethyl S-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl] phosphorothioateO,O-Dimethyl S-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl] thiophosphate #Phosphorothioic acid, O,O-dimethylS-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl] ester
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 412
Experimental & physicochemical properties
PesticidesPesticide degradation product
LogP0.78
Physicochemical properties
- Boiling point
- 414.6 · 414.6±55.0 °C(Predicted)
- Density
- 1.52 · 1.52±0.1 g/cm3(Predicted)
- solubility
- Chloroform (Slightly), Ethyl Acetate (Slightly)
- form
- Solid
- pka
- -2.6 · -2.60±0.20(Predicted)
- color
- White to Pale Yellow
- Stability
- Hygroscopic
- EPA Substance Registry System
- Phosphorothioic acid, O,O-dimethyl S-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl] ester (961-22-8)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Toxicology
USGS Health-Based Screening Levels for Evaluating Water-Quality
Azinphos-methyl oxon
Pesticide degradation product
Smith, C.D. and Nowell, L.H., 2024. Health-Based Screening Levels for evaluating water-quality data (3rd ed.). DOI:10.5066/F71C1TWP
Safety data
- ridadr
- 2783
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- 6.1(a)
- packing_group
- II
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesGuthoxon is an organophosphorus anticholinesterase pesticide.
Suppliers4 total
上海倍卓生物科技有限公司021-61119791,13386096464 · [email protected]
天津阿尔塔科技有限公司022-6537-8550 15522853686 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
深圳市丽晶生化科技有限公司0755-85201366 18938635012 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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