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| CAS No.: | 2511-10-6 |
|---|---|
| Name: | O,S-DIETHYL METHYLPHOSPHONOTHIOATE |
| Molecular Structure: | |
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| Formula: | C5H13 O2 P S |
| Molecular Weight: | 168.197 |
| Synonyms: | Phosphonothioicacid, methyl-, O,S-diethyl ester (6CI,7CI,8CI,9CI);Ethoxy(ethylthio)(methyl)phosphine oxide; LG 61; O,S-Diethylmethylphosphonothioate; O,S-Diethyl methylthiophosphonate; O-Ethyl S-ethylmethylphosphonothioate |
| Density: | 1.081g/cm3 |
| Melting Point: | -8.2°C |
| Boiling Point: | 208°Cat760mmHg |
| Flash Point: | 79.6°C |
| Solubility: | Immiscible with water. |
| Safety: | Poison by ingestion and intravenous routes. When heated to decomposition it emits toxic fumes of POx and SOx. |
| PSA: | 61.41000 |
| LogP: | 2.59890 |
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Chemistry
Empirical Formula: C5H13O2PS
Molecular Weight: 168.1943 g/mol
Index of Refraction: 1.45
Density: 1.081 g/cm3
Flash Point: 79.6 °C
Enthalpy of Vaporization: 42.62 kJ/mol
Boiling Point: 208 °C at 760 mmHg
Vapour Pressure: 0.315 mmHg at 25 °C
Structure of O,S-Diethyl methylthiophosphonate (CAS NO.2511-10-6):
IUPAC Name: 1-[Ethylsulfanyl(methyl)phosphoryl]oxyethan
Canonical SMILES: CCOP(=O)(C)SCC
InChI: InChI=1S/C5H13O2PS/c1-4-7-8(3,6)9-5-2/h4-5H2,1-3H3
InChIKey: AIMOGGQLCCAPQJ-UHFFFAOYSA-N
Product Categories of O,S-Diethyl methylthiophosphonate (CAS NO.2511-10-6): Inhibitors;Phosphorylating and Phosphitylating Agents;Intermediates & Fine Chemicals;Pharmaceuticals
Uses
O,S-Diethyl methylthiophosphonate (CAS NO.2511-10-6) has been used as an inhibitor of cholinesterase.
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| dog | LD50 | intravenous | 5620ug/kg (5.62mg/kg) | Interagency Collaborative Group on Environmental Carcinogenesis, National Cancer Institute, Memorandum, June 17, 1974Vol. 17JUN1974, | |
| mouse | LD50 | intravenous | 1mg/kg (1mg/kg) | Interagency Collaborative Group on Environmental Carcinogenesis, National Cancer Institute, Memorandum, June 17, 1974Vol. 17JUN1974, | |
| rabbit | LD50 | intravenous | 2480ug/kg (2.48mg/kg) | Interagency Collaborative Group on Environmental Carcinogenesis, National Cancer Institute, Memorandum, June 17, 1974Vol. 17JUN1974, | |
| rabbit | LD50 | skin | > 24mg/kg (24mg/kg) | Interagency Collaborative Group on Environmental Carcinogenesis, National Cancer Institute, Memorandum, June 17, 1974Vol. 17JUN1974, | |
| rat | LD50 | oral | 6mg/kg (6mg/kg) | BEHAVIORAL: TETANY LUNGS, THORAX, OR RESPIRATION: DYSPNEA KIDNEY, URETER, AND BLADDER: URINE VOLUME INCREASED | Journal of Agricultural and Food Chemistry. Vol. 32, Pg. 774, 1984. |
Safety Profile
Poison by ingestion and intravenous routes. When heated to decomposition it emits toxic fumes of POx and SOx.
Specification
O,S-Diethyl methylthiophosphonate ,its cas register number is 2511-10-6. It also can be called Phosphonothioic acid, P-methyl-, O,S-diethyl ester ; Methylphosphonothioic acid O,S-diethyl ester ;and Diethyl methylphosphonothioate .