Basic information
- CAS
3735-33-9- Standard SMILES
COP(=O)(OC)SCN1C(=O)c2ccccc2C1=O- InChIKey
BEMXOWRVWRNPPL-UHFFFAOYSA-N- Molecular formula
- C11H12NO5PS
- Average molar mass
- 301.26 g/mol
- Monoisotopic mass
- 301.01738065
Names & identifiers
- Preferred name
- Phosmet oxon
- IUPAC
- 2-(dimethoxyphosphorylsulfanylmethyl)isoindole-1,3-dione
- English name
- PHOSMET-OXON
- Molecular formula
- C11H12NO5PS
- Molecular weight
- 301.26
Names & synonyms
Phosmet oxon3735-33-9ImidoxonPhosmetoxonOxoimidanStauffer R-1571Stauffer R-1571-AR 1571AENT 25,707R 1571Imidan oxonUNII-6C4K5681ND
Show more names
R-1571ENT-207ENT 25707ENT-25707PHOSMET-OXONPhosmet-oxon SolutionPHOSMET OXYGEN ANALOG)
BRN 0264370DTXSID6042286AI3-25707Stauffer R-1571A6C4K5681NDStauffer R-1,571S-((1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl) O,O-dimethyl phosphorothioatePhosphorothioic acid, O,O-dimethyl S-phthalimidomethyl ester
Database identifiers
- CAS
3735-33-9- PubChem CID
- 77323
- DTXSID
DTXSID6042286- UNII
- 6C4K5681ND
- EC Number
- 690-124-7
- Nikkaji
- J53.834E
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 98.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 397
Experimental & physicochemical properties
Pesticides
Environmental transformation -> Pesticide transformation products (metabolite, successor)
Pesticide (Phosmet oxygen analog) -> USDA PDB
Pesticide degradation product
Physicochemical properties
- Melting point
- 74 °C · 74 °C
- Boiling point
- 405.6 · 405.6±47.0 °C(Predicted)
- Density
- 1.451 · 1.451±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- -2.63 · -2.63±0.20(Predicted)
- color
- White to Off-White
- Stability
- Hygroscopic
- FDA UNII
- 6 C4K5681ND · 6C4K5681ND
- EPA Substance Registry System
- Phosmetoxon (3735-33-9)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (3 of 3) of all reports.
Not Classified
Aggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesNot Classified
Toxicology
USGS Health-Based Screening Levels for Evaluating Water-Quality
Phosmet oxon
61668
Pesticide degradation product
0.02
metabolite of phosmet CASRN 732116
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
- wgk
- WGK 3
- ridadr
- 2783
- Toxicity
- chicken,LD50,oral,46mg/kg (46mg/kg),BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD,Toxicology and Applied Pharmacology. Vol. 6, Pg. 147, 1964.
- risk_code
- 11-38-48/20-63-65-67
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- F,Xn
- safety_code
- 36/37-46-62
- hazard_class
- 6.1(b)
Chemistry & industry
Uses & manufacturing
Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
Applications
UsesPhosmet-oxon causes an alteration in the erythrocyte morphology of human red blood cells. Phosmet-oxon is an organophosphorous insecticide widely used for plant protection and against ecto-parasites of productive livestock.
Suppliers14 total
Syntechem Co.,Ltd[email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海毕楷科技有限公司18516304666 · [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]
上海泰坦科技股份有限公司13023226327 · [email protected]
深圳市丽晶生化科技有限公司0755-85201366 18938635012 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
上海贝万塔生物科技有限公司021-67187366 19901745723 · [email protected]
上海一飞生物科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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