Basic information
- CAS
2600-69-3- Standard SMILES
CCOP(=O)(OCC)SCSCC- InChIKey
FMXFZNGITFNSAG-UHFFFAOYSA-N- Molecular formula
- C7H17O3PS2
- Average molar mass
- 244.3 g/mol
- Monoisotopic mass
- 244.03567374
Names & identifiers
- Preferred name
- Phorate oxon
- IUPAC
- 1-[ethoxy(ethylsulfanylmethylsulfanyl)phosphoryl]oxyethane
- English name
- PHORATE-OXON
- Molecular formula
- C7H17O3PS2
- Molecular weight
- 244.31
Names & synonyms
Phorate oxonPhoratoxon2600-69-3DTXSID4037586KSY09QD27VRefChem:861878DTXCID20175861-[ethoxy(ethylsulfanylmethylsulfanyl)phosphoryl]oxyethanediethyl {[(ethylsulfanyl)methyl]sulfanyl}phosphonateDiethyl S-eththiomethyl thiophosphateUNII-KSY09QD27VBRN 1708515
Show more names
PHORATE-OXONphorateoxygenanalogPhorate-oxon SolutionNitenpyram Impurity 1phorate oxygen analoguePhorate-oxon 100 μg/ml Toluenediethyls-eththiomethylthiophosphatePhorate-oxon 10.0 μg/ml CyclohexanePhorate-oxon 100 μg/ml Acetonitrile
O,O-Diethyl S-eththiomethyl phosphorothioateFMXFZNGITFNSAG-UHFFFAOYSA-NPhorate O.A.SCHEMBL5933624CHEMBL1902159Phosphorothioic acid, O,O-diethyl S-(ethylthio)methyl esterNCGC00163863-01Phorate-oxon 10 microg/mL in Cyclohexane
Database identifiers
- CAS
2600-69-3- PubChem CID
- 75780
- DTXSID
DTXSID4037586- ChEMBL
CHEMBL1902159- UNII
- KSY09QD27V
- EC Number
- 690-125-2
- Nikkaji
- J7.626K
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 86.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 156
Experimental & physicochemical properties
Pesticides
Pesticide (Phorate oxygen analog) -> USDA PDB
Pesticide degradation product
LogP2.07
Physicochemical properties
- Flash point
- -4 °C · -4 °C
- storage temp.
- Refrigerator
- solubility
- Chloroform (Slightly), Ethyl Acetate (Slightly)
- form
- Oil
- color
- Clear Colourless
- FDA UNII
- 9 QD27V · KSY09QD27V
- EPA Substance Registry System
- Phorate O.A. (2600-69-3)
- Hazard Codes
- F,Xn
- Risk Statements
- 63 · 63-11-38-48/20-65-67
- Safety Statements
- 36 · 36/37-46-62
- RIDADR
- 3018 · 3018
- HazardClass
- 6.1 · 6.1(a)
- PackingGroup
- I
- Toxicity
- 50 · rat,LD50,oral,250ug/kg (0.25mg/kg),Pharmacological Reviews. Vol. 11, Pg. 636, 1959.
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
Phorate 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
- 3018
- Toxicity
- rat,LD50,oral,250ug/kg (0.25mg/kg),Pharmacological Reviews. Vol. 11, Pg. 636, 1959.
- risk_code
- 63-11-38-48/20-65-67
- hazard_code
- F,Xn
- safety_code
- 36/37-46-62
- hazard_class
- 6.1(a)
- packing_group
- I
Chemistry & industry
Applications
UsesPhorate Oxon is a toxic metabolite of Phorate (P353500), an inhibitor of acetylcholinesterase and pseudocholinesterase.
Upstream & downstream products
Upstream raw materials
Suppliers14 total
艾吉析科技（上海）有限公司17717235263 · [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]
上海倍卓生物科技有限公司021-61119791,13386096464 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
天津阿尔塔科技有限公司022-6537-8550 15522853686 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
山东西亚化学有限公司4009903999 13395398332 · [email protected]
山东小野化学股份有限公司0539-6362799 20）
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]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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