Basic information
- CAS
31972-44-8- Standard SMILES
CCOP(=O)(NC(C)C)Oc1ccc(S(C)(=O)=O)c(C)c1- InChIKey
LVNYJXIBJFXIRZ-UHFFFAOYSA-N- Molecular formula
- C13H22NO5PS
- Average molar mass
- 335.36 g/mol
- Monoisotopic mass
- 335.09563097
Overview
Fenamiphos sulfone is a sulfonic acid derivative.
Names & identifiers
- Preferred name
- Fenamiphos sulfone
- IUPAC
- N-[ethoxy-(3-methyl-4-methylsulfonylphenoxy)phosphoryl]propan-2-amine
- English name
- Fenamiphos sulfone
- Molecular formula
- C13H22NO5PS
- Molecular weight
- 335.36
Names & synonyms
Fenamiphos sulfone31972-44-8Fenamiphos sulfphoneBAY-68138 SULFONE77I51XA8L2DTXSID3037547Phosphoramidic acid, (1-methylethyl)-, ethyl 3-methyl-4-(methylsulfonyl)phenyl esterRefChem:598851DTXCID1017547622-561-6Fenamiphos-sulfoneFenamiphos sulphone
Show more names
Fenamiphos-sulFenaMiphos-sulfonFenamiphos sulfone SolutionC13421000 Fenamiphos-sulfoneFENAMIPHOS SULFONE, 100MG,NEATFENAMIPHOS SULFOXIDE, 50MG, NEATFENAMIPHOS-SULFON PESTANAL, 100 MGFenamiphos sulfone Solution, 100ppm
FenamiphossulfoneN-[ethoxy-(3-methyl-4-methylsulfonylphenoxy)phosphoryl]propan-2-aminePhosphoramidic acid, isopropyl-, ethyl 4-(methylsulfonyl)-m-tolyl esterFenamiphos-sulfone, ampule of 100 mgEthyl 4-(methylsulfonyl)-m-tolyl isopropylphosphoramidateFenamiphos-sulfone 1000 |Ig/mL in AcetoneFenamiphos-sulfone 1000 microg/mL in AcetoneFenamiphos-sulfone 10 |Ig/mL in Ethyl acetate
Database identifiers
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 90.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 473
Experimental & physicochemical properties
Pesticides
Pesticide (Fenamiphos sulfone) -> USDA PDB
Pesticide degradation product
Collision Cross Section
181.5 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID3037547]
179.48 Ų [M+H]+ [CCS Type: TW]
Physicochemical properties
- Melting point
- 84 · 84-86°C
- Boiling point
- 456.7 · 456.7±55.0 °C(Predicted)
- Density
- 1.209 · 1.209±0.06 g/cm3(Predicted)
- Flash point
- 80 °C · >80 °C
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- pka
- -0.48 · -0.48±0.70(Predicted)
- BRN
- 2395109 · 2395109
- InChI
- 1S/C13H22NO5PS/c1-6-18-20(15,14-10(2)3)19-12-7-8-13(11(4)9-12)21(5,16)17/h7-10H,6H2,1-5H3,(H,14,15)
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 2 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 sulfone
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
- wgk
- 3
- ridadr
- 2783
- risk_code
- 28-50/53
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T+,N
- safety_code
- 22-28-36/37-45-60-61
- hazard_class
- 6.1(a)
- Storage Class
- 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
Chemistry & industry
Applications
UsesA toxic metabolite of Fenamiphos, a pesticide in fruits and vegetables.
Suppliers33 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]
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]
上海弘顺生物科技有限公司15901914505 · [email protected]
Syntechem Co.,Ltd[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]
艾科试剂4008-755-333 18080918076 · [email protected]
南京生利德生物科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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