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O,O-Dimethyl phosphoramidothioate

  • Name O,O-Dimethyl phosphoramidothioate
  • EINECS241-342-2
  • CAS No. 17321-47-0
  • Density1.283 g/cm3
  • PSA86.38000
  • LogP1.81330
  • SolubilityN/A
  • Melting Point26-30oC
  • FormulaC2H8NO2PS
  • Boiling Point162.2 °C at 760 mmHg
  • Molecular Weight141.131
  • Flash Point51.9 °C
  • Transport InformationN/A
  • Appearancewhite to slightly off-white powder crystal
  • Safety
  • Risk Codes C:Corrosive;
  • Molecular Structure
    Molecular Structure of 17321-47-0 (O,O-Dimethyl phosphoramidothioate)
  • Hazard SymbolsR34:;
  • SynonymsR34:;
  • Article Data14

O,O-Dimethyl phosphoramidothioate Specification

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,

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