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CAS No.: | 17321-47-0 |
---|---|
Name: | O,O-Dimethyl phosphoramidothioate |
Article Data: | 14 |
Molecular Structure: | |
Formula: | C2H8NO2PS |
Molecular Weight: | 141.131 |
Synonyms: | Amidate;Amidate (pesticide);NSC 133028;O,O-Dimethyl thiophosphoramide;phosphoramidothioic acid, O,O-dimethyl ester; |
EINECS: | 241-342-2 |
Density: | 1.283 g/cm3 |
Melting Point: | 26-30oC |
Boiling Point: | 162.2 °C at 760 mmHg |
Flash Point: | 51.9 °C |
Appearance: | white to slightly off-white powder crystal |
Hazard Symbols: | R34:; |
Risk Codes: | C:Corrosive; "> C:Corrosive; |
PSA: | 86.38000 |
LogP: | 1.81330 |
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The O,O-Dimethyl phosphoramidothioate, with the CAS registry number 17321-47-0 and EINECS registry number 241-342-2, is also called O,O-dimethyl amidothiophosphate. It is a kind of colorless liquid, and it is also insoluble in water. The molecular formula of this chemical is C2H8NO2PS.
The physical properties of O,O-Dimethyl phosphoramidothioate are as following: (1)ACD/LogP: -0.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.77; (4)ACD/LogD (pH 7.4): -0.77; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 9.1; (8)ACD/KOC (pH 7.4): 9.1; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 63.6 Å2; (13)Index of Refraction: 1.502; (14)Molar Refractivity: 32.47 cm3; (15)Molar Volume: 109.9 cm3; (16)Polarizability: 12.87×10-24cm3; (17)Surface Tension: 50.8 dyne/cm; (18)Density: 1.283 g/cm3; (19)Flash Point: 51.9 °C; (20)Enthalpy of Vaporization: 39.88 kJ/mol; (21)Boiling Point: 162.2 °C at 760 mmHg; (22)Vapour Pressure: 2.19 mmHg at 25°C.
Preparation and uses of O,O-Dimethyl phosphoramidothioate: It can be prepared by the amination of methochloride. Add a certain amount of methochloride and right amount of solvent in the enamel reactor, and cool it down to 0°C with stirring. Drop the ammonia slowly, and control the temperature is about 20°C, and then keep warm for 0.5 hours. Put it into extraction kettle to let it separate into layers, and the oil layer is the rough product. And deal with climbing-falling film system, you can get the purificatory product. What's more, it is usually used as intermediate in the synthesis of methamidophos and orthene.
You can still convert the following datas into molecular structure:
(1)SMILES: S=P(OC)(OC)N
(2)InChI: InChI=1/C2H8NO2PS/c1-4-6(3,7)5-2/h1-2H3,(H2,3,7)
(3)InChIKey: NKYPKIVMIGIWOB-UHFFFAOYAH
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
rat | LC50 | inhalation | > 14500ug/m3/4 (14.5mg/m3) | National Technical Information Service. Vol. OTS0543903, | |
rat | LD50 | oral | 410mg/kg (410mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ATAXIA BEHAVIORAL: COMA | National Technical Information Service. Vol. OTS0543903, |
rat | LD50 | skin | 4360mg/kg (4360mg/kg) | BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA SKIN AND APPENDAGES (SKIN): HAIR: OTHER | National Technical Information Service. Vol. OTS0543903, |