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| CAS No.: | 3735-23-7 |
|---|---|
| Name: | METHYL PHENCAPTON |
| Molecular Structure: | |
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| Formula: | C9H11 Cl2 O2 P S3 |
| Molecular Weight: | 349.25 |
| Synonyms: | ENT25,554-X; G 30494; Geigy 30494; Methyl phencapton; O,O-Dimethyl S-[[(2,5-dichlorophenyl)thio]methyl]phosphorodithioate; S-[[(2,5-Dichlorophenyl)thio]methyl] O,O-dimethylphosphorodithioate |
| Density: | 1.47g/cm3 |
| Boiling Point: | 382.1°Cat760mmHg |
| Flash Point: | 184.9°C |
| Safety: | Poison by ingestion. When heated to decomposition it emits very toxic fumes of Cl−, SOx and POx. |
| PSA: | 110.96000 |
| LogP: | 5.94410 |
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Chemistry
Molecule structure of Methyl phenkapton (CAS NO.3735-23-7) :
IUPAC Name: (2,5-dichlorophenyl)sulfanylmethylsulfanyl-dimethoxy-sulfanylidene-λ5-phosphane
Molecular Weight: 349.257201 g/mol
Molecular Formula: C9H11Cl2O2PS3
Density: 1.47 g/cm3
Boiling Point: 382.1 °C at 760 mmHg
Flash Point: 184.9 °C
Index of Refraction: 1.625
Molar Refractivity: 83.54 cm3
Molar Volume: 236.2 cm3
Polarizability: 33.11×10-24 cm3
Surface Tension: 59.6 dyne/cm
Enthalpy of Vaporization: 60.57 kJ/mol
log P (octanol-water): 4.860
Water Solubility: 0.445 mg/L
Vapor Pressure: 4.21E-06 mm Hg
Henry's Law Constant: 7.41E-08 atm-m3/mole 25
Atmospheric OH Rate Constant: 2.11E-10 cm3/molecule-sec
XLogP3: 5.4
H-Bond Acceptor: 2
Rotatable Bond Count: 6
Exact Mass: 347.903584
MonoIsotopic Mass: 347.903584
Topological Polar Surface Area: 18.5
Heavy Atom Count: 17
Complexity: 275
Canonical SMILES: COP(=S)(OC)SCSC1=C(C=CC(=C1)Cl)Cl
InChI: InChI=1S/C9H11Cl2O2PS3/c1-12-14(15,13-2)17-6-16-9-5-7(10)3-4-8(9)11/h3-5H,6H2,1-2H3
InChIKey: IHCHKPCNDMQWGF-UHFFFAOYSA-N
Uses
Methyl phenkapton (CAS NO.3735-23-7) is used as an acaricide, insecticide. Not registered as a pesticide in the U.S.
Toxicity Data With Reference
| 1. | orl-rat LD50:220 mg/kg | ARSIM* Agricultural Research Service, USDA Information Memorandum. 20 (1966),10. | ||
| 2. | orl-mus LD50:11 mg/kg | ARSIM* Agricultural Research Service, USDA Information Memorandum. 20 (1966),10. |
Consensus Reports
EPA Extremely Hazardous Substances List.
Safety Profile
Poison by ingestion. When heated to decomposition it emits very toxic fumes of Cl−, SOx and POx.
RIDADR: 3018
HazardClass: 6.1(b)
PackingGroup: III
Specification
Methyl phenkapton (CAS NO.3735-23-7) is also called Caswell No. 362A ; ENT 25,554-X ; EPA Pesticide Chemical ; Code 362200 ; G 30494 ; Geigy 30494 ; Methanethiol, ((2,5-dichlorophenyl)thio)-, S-ester with O,O-dimethyl phosphorodithioate ; O,O-Dimethyl S-(2,5-dichlorophenylthio)methyl phosphorodithioate ; S-(((2,5-Dichlorophenyl)thio)methyl) O,O-dimethyl phosphorodithioate . Methyl phenkapton (CAS NO.3735-23-7) is liquid. Organophosphates, such as Methyl phenkapton , are susceptible to formation of highly toxic and flammable phosphine gas in the presence of strong reducing agents such as hydrides. Partial oxidation by oxidizing agents may result in the release of toxic phosphorus oxides.
Organic phosphorus insecticides are absorbed by the skin, as well as by the respiratory and gastrointestinal tracts. Toxic hazard rating (oral) is high. Cylinder may explode in heat of fire. Heat may cause decomposition and evolution of highly toxic fumes of phosphorus oxides and chlorides.