99675-03-3

The Methyl-isofenphos, with the CAS registry number 1000-05-1 and EINECS registry number 99675-03-3, has the systematic name of propan-2-yl 2-{[methoxy(propan-2-ylamino)phosphorothioyl]oxy}benzoate. It belongs to the following product categories: Insecticide; Alpha sort; Alphabetic; H-MAnalytical Standards; IEnvironmental Standards; Insecticides; Metabolites Pesticides; Organophorous; Pesticides & Metabolites. And the molecular formula of the chemical is C₁₄H₂₂NO₄PS. What's more, it is always used as new soil pesticides.

The characteristics of Methyl-isofenphos are as followings: (1)ACD/LogP: 3.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.59; (4)ACD/LogD (pH 7.4): 3.59; (5)ACD/BCF (pH 5.5): 314.32; (6)ACD/BCF (pH 7.4): 314.32; (7)ACD/KOC (pH 5.5): 2134.15; (8)ACD/KOC (pH 7.4): 2134.15; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 89.9 Å²; (13)Index of Refraction: 1.531; (14)Molar Refractivity: 87.25 cm³; (15)Molar Volume: 281.8 cm³; (16)Polarizability: 34.59×10^-24cm³; (17)Surface Tension: 43.4 dyne/cm; (18)Density: 1.175 g/cm³; (19)Flash Point: 194.2 °C; (20)Enthalpy of Vaporization: 64.8 kJ/mol; (21)Boiling Point: 397.5 °C at 760 mmHg; (22)Vapour Pressure: 1.58E-06 mmHg at 25°C.

Prepareation of Methyl-isofenphos: First, prepareation of compound 1: Phosphorus trichloride react with sulfur to obtain phosphorus thiochloride. Then phosphorus thiochloride react with methanol to produce compound 1. Second,  prepareation of compound 2: ortho-hydroxybenzoic acid reaxt with isopropanol under the condition of sulphuric acid to obtain compound 2. Third, compound 1 react with compound 2, and the product can be obtained.

You should be cautious while dealing with this chemical. It is toxic in contact with skin and if swallowed, and it is also very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. Therefore, you had better take the following instructions: Wear suitable protective clothing and gloves, and if in case of accident or if you feel unwell, seek medical advice immediately (show label where possible); This material and/or its container must; 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: S=P(Oc1ccccc1C(=O)OC(C)C)(OC)NC(C)C
(2)InChI: InChI=1/C14H22NO4PS/c1-10(2)15-20(21,17-5)19-13-9-7-6-8-12(13)14(16)18-11(3)4/h6-11H,1-5H3,(H,15,21)
(3)InChIKey: IXTOWLKEARFCCP-UHFFFAOYAN