298-02-2

The CAS registry number of Phorate is 298-02-2. Its EINECS registry number is 206-052-2. The IUPAC name is diethoxy-(ethylsulfanylmethylsulfanyl)-sulfanylidene-λ⁵-phosphane. In addition, the molecular formula is C₇H₁₇O₂PS₃ and the molecular weight is 260.38. It is also called O,O-Diethyl S-ethylthiomethyldithiophosphate. What's more, it belongs to the class of Insecticide. It is a pale yellow mobile liquid poorly soluble in water but readily soluble in organic solvents.

Physical properties about this chemical are: (1)ACD/LogP: 3.67 ; (2)ACD/LogD (pH 5.5): 3.67; (3)ACD/LogD (pH 7.4): 3.67; (4)ACD/BCF (pH 5.5): 363.23; (5)ACD/BCF (pH 7.4): 363.23; (6)ACD/KOC (pH 5.5): 2366.91; (7)ACD/KOC (pH 7.4): 2366.91; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 8; (10)Polar Surface Area: 110.96 Å²; (11)Index of Refraction: 1.54; (12)Molar Refractivity: 68.09 cm³; (13)Molar Volume: 216.7 cm³; (14)Polarizability: 26.99 ×10^-24cm³; (15)Surface Tension: 46.1 dyne/cm; (16)Density: 1.201 g/cm³; (17)Flash Point: 132.8 °C; (18)Enthalpy of Vaporization: 51.43 kJ/mol; (19)Boiling Point: 296 °C at 760 mmHg; (20)Vapour Pressure: 0.0026 mmHg at 25°C.

Preparation of Phorate: it can be prepared by O,O-diethyldithiophosphate and ethanethiol in the presence of methanal solution. The yield is about 85-92%.

Uses of Phorate: this chemical is most commonly applied in granular form. It can be used as pesticides to prevent and control cotton early aphids and starscream. And it also can kill underground pest such as notobitus. In addition, it can be used to get dithiophosphoric acid S-ethanesulfinylmethyl ester O,O'-diethyl ester. This reaction will need reagents H₂O₂ and V₂O₅, and solvent 2-methyl-propan-2-ol. The yield is about 82% at reaction temperature of 20-30 °C.

When you are using this chemical, please be cautious about it as the following:
This chemical is very toxic in contact with skin and if swallowed. And it is very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. During using it, wear suitable protective clothing and gloves. If you contact it with skin, wash it immediately with plenty of ... (to be specified by the manufacturer). And in case of accident or if you feel unwell, seek medical advice immediately (show label where possible). What's more, this material and/or its container must be disposed of as hazardous waste. You avoid release to the environment and you can refer to special instructions safety data sheet.

You can still convert the following datas into molecular structure:
(1)SMILES: S=P(OCC)(SCSCC)OCC
(2)InChI: InChI=1/C7H17O2PS3/c1-4-8-10(11,9-5-2)13-7-12-6-3/h4-7H2,1-3H3
(3)InChIKey: BULVZWIRKLYCBC-UHFFFAOYAA

The toxicity data is as follows: