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| CAS No.: | 31972-44-8 |
|---|---|
| Name: | FENAMIPHOS SULFONE |
| Article Data: | 1 |
| Molecular Structure: | |
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|
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| Formula: | C13H22NO5PS |
| Molecular Weight: | 335.361 |
| Synonyms: | Phosphoramidicacid, (1-methylethyl)-, ethyl 3-methyl-4-(methylsulfonyl)phenyl ester (9CI);Phosphoramidic acid, isopropyl-, ethyl 4-(methylsulfonyl)-m-tolyl ester (8CI);BAY 68138 sulfone;Fenamiphos sulfone;O-EthylO-[4-(methylsulfonyl)-m-tolyl]isopropylphosphoramidate; |
| Density: | 1.209 g/cm3 |
| Melting Point: | 84-86°C |
| Boiling Point: | 456.7 °C at 760 mmHg |
| Flash Point: | 230 °C |
| Hazard Symbols: |
 T+；  N
|
| Risk Codes: | 28-50/53- |
| Safety: | 22-28-36/37-45-60-61 |
| Transport Information: | UN 3464 |
| PSA: | 99.89000 |
| LogP: | 4.39160 |
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- Total:27 Page 1 of 1 1
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Specification
The Fenamiphos-sulfone, with the CAS registry number 31972-44-8, has the systematic name of ethyl 3-methyl-4-(methylsulfonyl)phenyl propan-2-ylphosphoramidate. It belongs to the following product categories: Alphabetic; Alpha sort; E-GAlphabetic; F; FA - FLEnvironmental Standards; Insecticides; MetabolitesPesticides; Organophorous; Pesticides&Metabolites. And the molecular formula of the chemical is C13H22NO5PS.
The characteristics of Fenamiphos-sulfone are as followings: (1)ACD/LogP: 1.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.75; (4)ACD/LogD (pH 7.4): 1.75; (5)ACD/BCF (pH 5.5): 12.51; (6)ACD/BCF (pH 7.4): 12.51; (7)ACD/KOC (pH 5.5): 212.39; (8)ACD/KOC (pH 7.4): 212.39; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 91.1 Å2; (13)Index of Refraction: 1.502; (14)Molar Refractivity: 81.81 cm3; (15)Molar Volume: 277.2 cm3; (16)Polarizability: 32.43×10-24cm3; (17)Surface Tension: 40.2 dyne/cm; (18)Density: 1.209 g/cm3; (19)Flash Point: 230 °C; (20)Enthalpy of Vaporization: 71.67 kJ/mol; (21)Boiling Point: 456.7 °C at 760 mmHg; (22)Vapour Pressure: 1.59E-08 mmHg at 25°C.
Preparation of Fenamiphos-sulfone: This chemical can be prepared by fenamiphos sulfoxide. The reaction will need reagent perfluoro cis-2-n-butyl-3-n-propyloxaziridine, and the menstruum various solvent(s). The reaction time is 8 hours with temperature of 0°C, and the yield is about 90%.
You should be cautious while dealing with this chemical. It is very toxic to aquatic organisms, and may cause long-term adverse effects in the aquatic environment. It is also very toxic if swallowed. Therefore, you had better take the following instructions: Do not breathe dust; After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer); Wear suitable protective clothing and gloves; In case of accident or if you feel unwell, seek medical advice immediately (show label where possible); This material and/or its container must be disposed of as hazardous waste; Avoid release to the environment. Refer to special instructions safety data sheet.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=S(=O)(c1c(cc(OP(=O)(OCC)NC(C)C)cc1)C)C
(2)InChI: InChI=1/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)
(3)InChIKey: LVNYJXIBJFXIRZ-UHFFFAOYAS