FLUXOFENIM

Reported in EPA TSCA Inventory.

The Fluxofenim, with the CAS registry number 88485-37-4, is also known as O-(1,3-Dioxolan-2-yl-methyl)-2,2,2-trifluoro-4'-chloroacetophenone oxime. It belongs to the product categories of Alpha sort; E-GAlphabetic; F; FA - FL; Pesticides & Metabolites. This chemical's molecular formula is C₁₂H₁₁ClF₃NO₃ and molecular weight is 309.67. What's more, its systematic name is 1-(4-Chlorophenyl)-N-(1,3-Dioxolan-2-Ylmethoxy)-2,2,2-Trifluoroethanimine. Its classification codes are: (1)Agricultural Chemical; (2)Herbicide; (3)TSCA Flag P [A commenced PMN (Premanufacture Notice)substance]. This chemical is used as a herbicide safener. 

Physical properties of Fluxofenim are: (1)ACD/LogP: 4.268; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.27; (4)ACD/LogD (pH 7.4): 4.27; (5)ACD/BCF (pH 5.5): 1032.23; (6)ACD/BCF (pH 7.4): 1032.23; (7)ACD/KOC (pH 5.5): 4998.75; (8)ACD/KOC (pH 7.4): 4998.75; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 40.05 Å²; (13)Index of Refraction: 1.51; (14)Molar Refractivity: 64.716 cm³; (15)Molar Volume: 216.396 cm³; (16)Polarizability: 25.655×10^-24cm³; (17)Surface Tension: 35.9 dyne/cm; (18)Density: 1.431 g/cm³; (19)Flash Point: 141.01 °C; (20)Enthalpy of Vaporization: 52.836 kJ/mol; (21)Boiling Point: 309.548 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful in contact with skin and if swallowed and is irritating to skin. It is very toxic to aquatic organisms and may cause long-term adverse effects in the aquatic environment. When using it, you need wear suitable protective clothing, gloves and eye/face protection. This material and its container must be disposed of as hazardous waste. You must avoid releasing it to the environment and you need to refer to special instructions/safety data sheet.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2ccc(\C(=N\OCC1OCCO1)C(F)(F)F)cc2
(2)Std. InChI: InChI=1S/C12H11ClF3NO3/c13-9-3-1-8(2-4-9)11(12(14,15)16)17-20-7-10-18-5-6-19-10/h1-4,10H,5-7H2/b17-11-
(3)Std. InChIKey: UKSLKNUCVPZQCQ-BOPFTXTBSA-N

The toxicity data is as follows: