Basic information
- CAS
31972-43-7- Standard SMILES
CCOP(=O)(NC(C)C)Oc1ccc(S(C)=O)c(C)c1- InChIKey
LUQMWGMGWJEGAT-UHFFFAOYSA-N- Molecular formula
- C13H22NO4PS
- Average molar mass
- 319.36 g/mol
- Monoisotopic mass
- 319.10071635
Overview
structure given in first source
Names & identifiers
- Preferred name
- Fenamiphos sulfoxide
- IUPAC
- N-[ethoxy-(3-methyl-4-methylsulfinylphenoxy)phosphoryl]propan-2-amine
- English name
- Fenamiphos sulfoxide
- Molecular formula
- C13H22NO4PS
- Molecular weight
- 319.36
Names & synonyms
Fenamiphos sulfoxide31972-43-7Fenamiphos sulphoxideE9KC714FKUBAY-68138 SULFOXIDEDTXSID8037548Phosphoramidic acid, (1-methylethyl)-, ethyl 3-methyl-4-(methylsulfinyl)phenyl esterRefChem:140098DTXCID6017548634-805-9Fenamiphos-sulfoxideBAY 68138 SULFOXIDE
Show more names
FenaMiphos-sulfoxidFenamiphos sulfoxide SolutionC13422000 Fenamiphos-sulfoxideFENAMIPHOS-SULFOXID PESTANAL, 100 MGFenamiphos sulfoxide Solution, 100ppmFenamiphos sulfoxide Solution, 1000ppmFenamiphos-sulfoxide 100 μg/ml Toluene
N-[ethoxy-(3-methyl-4-methylsulfinylphenoxy)phosphoryl]propan-2-aminePhosphoramidic acid, N-(1-methylethyl)-, ethyl 3-methyl-4-(methylsulfinyl)phenyl esterNemacur sulfoxideUNII-E9KC714FKUC13H22NO4PSSCHEMBL5933910CHEMBL1904448LUQMWGMGWJEGAT-UHFFFAOYSA-N
Database identifiers
- CAS
31972-43-7
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 83.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 377
Experimental & physicochemical properties
Pesticides
Pesticide (Fenamiphos sulfoxide) -> USDA PDB
Pesticide degradation product
Physicochemical properties
- Boiling point
- 436.5 · 436.5±55.0 °C(Predicted)
- Density
- 1.22 · 1.22±0.1 g/cm3(Predicted)
- Flash point
- 65 °C · >65 °C
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- pka
- -0.34 · -0.34±0.70(Predicted)
- BRN
- 2390888 · 2390888
- Stability
- Hygroscopic
- Major Application
- agricultureenvironmental
- InChI
- 1S/C13H22NO4PS/c1-6-17-19(15,14-10(2)3)18-12-7-8-13(20(5)16)11(4)9-12/h7-10H,6H2,1-5H3,(H,14,15)
- InChIKey
- LUQMWGMGWJEGAT-UHFFFAOYSA-N
- SMILES
- CCOP(=O)(NC(C)C)Oc1ccc(c(C)c1)S(C)=O
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
Danger
H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationCommission Regulation (EC) No 451/2000
Hazard Classes and CategoriesAcute Tox. 2 (100%)
Toxicology
USGS Health-Based Screening Levels for Evaluating Water-Quality
Fenamiphos sulfoxide
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
- PPE
- Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 3
- ridadr
- 2783
- risk_code
- 28-50/53
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T+,N
- safety_code
- 28-36/37-45-60-61
Chemistry & industry
Applications
UsesA toxic metabolite of Fenamiphos, a pesticide in fruits and vegetables.
Suppliers26 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
江苏智芯廷科技有限公司18221391031 · [email protected]
广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海艾梯西生物科技有限公司18721763493 · [email protected]
上海毕楷科技有限公司18516304666 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
上海倍卓生物科技有限公司021-61119791,13386096464 · [email protected]
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
天津阿尔塔科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…