structural formula
| business number | 03yw |
|---|---|
| molecular formula | c3h9o3ps |
| molecular weight | 156.14 |
| label |
o,o,o-trimethylthiophosphate, trimethylthiophosphate, trimethylphosphonate, trimethylphosphorothionate, o,o,o-trimethyl phosphorothioate, o,o,o-trimethylthiofosfat, organophosphorus pesticides |
numbering system
cas number:152-18-1
mdl number:none
einecs number:none
rtecs number:none
brn number:none
pubchem id:none
physical property data
1. physical property data:
1. characteristics: with white liquid
2. boiling point (ºc,normal pressure): 78ºc
3. solubility: slightly soluble in water
toxicological data
2. toxicological data:
1, acute toxicity: rat oral ld50: 562 mg/kg;
mouse oral ld50: 1150 mg/kg;
mouse abdominal cavity ld50: 900 mg/kg.
2. inhalation toxicity: ratlc50: 220 ppm/4h
ecological data
3. ecological data:
other harmful effect: this substance may be harmful to the environment, and special attention should be paid to water bodies.
molecular structure data
5. molecular property data:
1. molar refractive index:35.31
2. molar volume (m3/ mol):129.1
3. isotonic specific volume (90.2k): 324.0
4. surface tension (dyne/cm): 39.6
5. polarizability（10-24cm3):14.00
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): 1.2
2. number of hydrogen bond donors: 0
3. number of hydrogen bond acceptors: 4
4. number of rotatable chemical bonds: 3
5. number of tautomers: none
6. topological molecule polar surface area 59.8
7. number of heavy atoms: 8
8. surface charge: 0
9. complexity: 85.7
10. number of isotope atoms: 0
11. determine the number of atomic stereocenters: 0
12. uncertain number of atomic stereocenters: 0
13. determine the number of chemical bond stereocenters: 0
14. number of uncertain chemical bond stereocenters: 0
15. number of covalent bond units: 1
properties and stability
stable under normal temperature and pressure.
storage method
save in a dry and cool place.
synthesis method
none
purpose
none
pan>129.1
3. isotonic specific volume (90.2k): 324.0
4. surface tension (dyne/cm): 39.6
5. polarizability（10-24cm3):14.00
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): 1.2
2. number of hydrogen bond donors: 0
3. number of hydrogen bond acceptors: 4
4. number of rotatable chemical bonds: 3
5. number of tautomers: none
6. topological molecule polar surface area 59.8
7. number of heavy atoms: 8
8. surface charge: 0
9. complexity: 85.7
10. number of isotope atoms: 0
11. determine the number of atomic stereocenters: 0
12. uncertain number of atomic stereocenters: 0
13. determine the number of chemical bond stereocenters: 0
14. number of uncertain chemical bond stereocenters: 0
15. number of covalent bond units: 1
properties and stability
stable under normal temperature and pressure.
storage method
save in a dry and cool place.
synthesis method
none
purpose
none
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