Products Categories
CAS No.: | 57018-04-9 |
---|---|
Name: | Tolclofos-methyl |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C9H11Cl2O3PS |
Molecular Weight: | 301.13 |
Synonyms: | O,O-DimethylO-(2,6-dichloro-4-methylphenyl) phosphorothioate;Rhizolex;Rhizolex T 50;Rizolex;Tolclophos-methyl;O-(2,6-dichloro-4-methylphenyl) O,O-dimethyl phosphorothioate;Tolclofos-methyl;Thiophosphate de O-(2,6-dichloro-4-méthylphényle) et de O,O-diméthyle;phosphorothioic acid, O-(2,6-dichloro-4-methylphenyl) O,O-dimethyl ester; |
EINECS: | 260-515-3 |
Density: | 1.401 g/cm3 |
Melting Point: | 78-80 °C |
Boiling Point: | 338.5 °C at 760 mmHg |
Flash Point: | 158.5 °C |
Solubility: | 1.10 mg l-1 (25 °C) |
Hazard Symbols: | Xi,N |
Risk Codes: | 43-50/53 |
Safety: | 22-24/25-61-60-37-24 |
PSA: | 69.59000 |
LogP: | 4.84850 |
2,6-dichloro-4-methylophenol
dimethyl chlorothiophosphate
sodium sulfate
tolclofos-methyl
Conditions | Yield |
---|---|
With potassium carbonate In water; toluene |
2,6-dichloro-4-methylophenol
dimethyl chlorothiophosphate
tolclofos-methyl
Conditions | Yield |
---|---|
With copper(l) chloride; sodium hydroxide In water; toluene at 45 - 50℃; for 4.5h; |
tolclofos-methyl
Conditions | Yield |
---|---|
With potassium dimethyldithiocarbamate In ethanol Ambient temperature; | 100% |
Conditions | Yield |
---|---|
In acetonitrile for 2h; Heating; Yield given. Yields of byproduct given; |
tolclofos-methyl
2,6-dichloro-4-methylphenyl methyl phosphorochloridothionate
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: 100 percent / potassium dimethyldithiocarbamate / ethanol / Ambient temperature 2: 33 percent / PCl5 / CH2Cl2 / Ambient temperature View Scheme |
The O-2,6-Dichloro-p-tolyl O,O-dimethyl phosphorothioate, with the CAS registry number 57018-04-9 and EINECS registry number 260-515-3, has the systematic name of O-(2,6-dichloro-4-methylphenyl) O,O-dimethyl phosphorothioate. It belongs to the product category of Fungicide, and the molecular formula of this chemical is C9H11Cl2O3PS. What's more, while dealing with this chemical, you should not breathe dust and then try to avoid contacting with skin and eyes. In addition, it should be sealed and stored at 2-8°C.
The physical properties of O-2,6-Dichloro-p-tolyl O,O-dimethyl phosphorothioate are as following: (1)ACD/LogP: 4.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.03; (4)ACD/LogD (pH 7.4): 4.03; (5)ACD/BCF (pH 5.5): 683.31; (6)ACD/BCF (pH 7.4): 683.31; (7)ACD/KOC (pH 5.5): 3720.67; (8)ACD/KOC (pH 7.4): 3720.67; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 69.59 Å2; (13)Index of Refraction: 1.563; (14)Molar Refractivity: 69.8 cm3; (15)Molar Volume: 214.8 cm3; (16)Polarizability: 27.67×10-24cm3; (17)Surface Tension: 48.1 dyne/cm; (18)Density: 1.401 g/cm3; (19)Flash Point: 158.5 °C; (20)Enthalpy of Vaporization: 55.89 kJ/mol; (21)Boiling Point: 338.5 °C at 760 mmHg; (22)Vapour Pressure: 0.000191 mmHg at 25°C.
Preparation and uses of O-2,6-Dichloro-p-tolyl O,O-dimethyl phosphorothioate: It can be prepared by 0.105mol 2,6-dichloro-4-methyl phenol and O, O-dimethyl thiophosphoryl chloride. The reaction will need solvent toluene, and acid-binding agent potassium carbonate. The reaction time id 2 hours with the temperature of 60-70°C, and the yield is 29.8g. What's more, it is usually used as organophosphorus germicides.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(cc(Cl)c1OP(=S)(OC)OC)C
(2)InChI: InChI=1/C9H11Cl2O3PS/c1-6-4-7(10)9(8(11)5-6)14-15(16,12-2)13-3/h4-5H,1-3H3
(3)InChIKey: OBZIQQJJIKNWNO-UHFFFAOYAH
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
duck | LD50 | oral | > 5gm/kg (5000mg/kg) | Pesticide Manual. Vol. 9, Pg. 826, 1991. | |
mouse | LD50 | intraperitoneal | 1070mg/kg (1070mg/kg) | "Agrochemicals Handbook," with updates, Hartley, D., and H. Kidd, eds., Nottingham, Royal Soc of Chemistry, 1983-86Vol. A508, Pg. 1985, | |
mouse | LD50 | oral | 3500mg/kg (3500mg/kg) | "Agrochemicals Handbook," with updates, Hartley, D., and H. Kidd, eds., Nottingham, Royal Soc of Chemistry, 1983-86Vol. A508, Pg. 1985, | |
mouse | LD50 | skin | > 5gm/kg (5000mg/kg) | Japan Pesticide Information. Vol. (41), Pg. 21, 1982. | |
mouse | LD50 | subcutaneous | > 5gm/kg (5000mg/kg) | Japan Pesticide Information. Vol. (41), Pg. 21, 1982. | |
quail | LD50 | oral | > 5gm/kg (5000mg/kg) | Pesticide Manual. Vol. 8, Pg. 810, 1987. | |
rat | LD50 | intraperitoneal | 4900mg/kg (4900mg/kg) | "Agrochemicals Handbook," with updates, Hartley, D., and H. Kidd, eds., Nottingham, Royal Soc of Chemistry, 1983-86Vol. A508, Pg. 1985, | |
rat | LD50 | oral | 5gm/kg (5000mg/kg) | Farm Chemicals Handbook. Vol. -, Pg. C265, 1991. | |
rat | LD50 | skin | > 5gm/kg (5000mg/kg) | Japan Pesticide Information. Vol. (41), Pg. 21, 1982. | |
rat | LD50 | subcutaneous | > 5gm/kg (5000mg/kg) | Japan Pesticide Information. Vol. (41), Pg. 21, 1982. |