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| CAS No.: | 67481-15-6 |
|---|---|
| Name: | METOFOS |
| Molecular Structure: | |
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| Formula: | C16H15Cl3O2•C12H14Cl3O4P |
| Molecular Weight: | 705.24 |
| Density: | g/cm3 |
| Boiling Point: | 436.2°Cat760mmHg |
| Flash Point: | 149.4°C |
| Hazard Symbols: | A poison by ingestion. Moderately toxic by skin contact. |
| Safety: | A poison by ingestion and intraperitoneal routes. Moderately toxic by skin contact. When heated to decomposition it emits toxic vapors of POx and Cl−. |
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- Total:2 Page 1 of 1 1
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Chemistry
Molecule structure of Metofos (CAS NO.67481-15-6) :
IUPAC Name: [(E)-2-chloro-1-(2,4-dichlorophenyl)ethenyl] diethyl phosphate;1-methoxy-4-[2,2,2-trichloro-1-(4-methoxyphenyl)ethyl]benzene
Molecular Weight: 705.218021 g/mol
Molecular Formula: C28H29Cl6O6P
Boiling Point: 436.2 °C at 760 mmHg
Flash Point: 149.4 °C
Enthalpy of Vaporization: 66.59 kJ/mol
Vapour Pressure: 2.1E-07 mmHg at 25 °C
H-Bond Acceptor: 6
Rotatable Bond Count: 11
Exact Mass: 703.980341
MonoIsotopic Mass: 701.983291
Topological Polar Surface Area: 63.2
Heavy Atom Count: 41
Complexity: 647
Canonical SMILES: CCOP(=O)(OCC)OC(=CCl)C1=C(C=C(C=C1)Cl)Cl.COC1=CC=C(C=C1)C(C2=CC=C(C=C2)
OC)C(Cl)(Cl)Cl
Isomeric SMILES: CCOP(=O)(OCC)O/C(=C/Cl)/C1=C(C=C(C=C1)Cl)Cl.COC1=CC=C(C=C1)C(C2=CC=C(C=
C2)OC)C(Cl)(Cl)Cl
InChI: InChI=1S/C16H15Cl3O2.C12H14Cl3O4P/c1-20-13-7-3-11(4-8-13)15(16(17,18)19)12-5-9-14(21-2)10-6-12;1-3-17-20(16,18-4-2)19-12(8-13)10-6-5-9(14)7-11(10)15/h3-10,15H,1-2H3;5-8H,3-4H2,1-2H3/b;12-8+
InChIKey of Metofos (CAS NO.67481-15-6) : SSNAAGFYBOZIEE-AMEPUADKSA-N
Toxicity Data With Reference
| 1. | orl-rat LD50:83,400 µg/kg | RPZHAW Roczniki Panstwowego Zakladu Higieny. 31 (1980),301. | ||
| 2. | skn-rat LD50:3349 mg/kg | RPZHAW Roczniki Panstwowego Zakladu Higieny. 31 (1980),301. | ||
| 3. | ipr-rat LD50:73,400 µg/kg | RPZHAW Roczniki Panstwowego Zakladu Higieny. 31 (1980),301. | ||
| 4. | orl-mus LD50:633 mg/kg | RPZHAW Roczniki Panstwowego Zakladu Higieny. 31 (1980),301. | ||
| 5. | orl-gpg LD50:1519 mg/kg | RPZHAW Roczniki Panstwowego Zakladu Higieny. 31 (1980),301. |
Safety Profile
A poison by ingestion and intraperitoneal routes. Moderately toxic by skin contact. When heated to decomposition it emits toxic vapors of POx and Cl−.
Specification
Metofos (CAS NO.67481-15-6) is also called Metofos plynny ; Phosphoric acid, 2-chloro-1-(2,4-dichlorophenyl)ethenyl diethyl ester, mixt. with 1,1'-(2,2,2-trichloroethylidene)bis(4-methoxybenzene .