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Methyl phenkapton

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Name

Methyl phenkapton

EINECS N/A
CAS No. 3735-23-7 Density 1.47g/cm3
PSA 110.96000 LogP 5.94410
Solubility N/A Melting Point N/A
Formula C9H11 Cl2 O2 P S3 Boiling Point 382.1°Cat760mmHg
Molecular Weight 349.25 Flash Point 184.9°C
Transport Information N/A Appearance N/A
Safety Poison by ingestion. When heated to decomposition it emits very toxic fumes of Cl, SOx and POx. Risk Codes N/A
Molecular Structure Molecular Structure of 3735-23-7 (METHYL PHENCAPTON) Hazard Symbols N/A
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

 

Methyl phenkapton Chemical Properties

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

Methyl phenkapton Uses

 Methyl phenkapton (CAS NO.3735-23-7) is used as an acaricide, insecticide. Not registered as a pesticide in the U.S.

Methyl phenkapton 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.

Methyl phenkapton Consensus Reports

EPA Extremely Hazardous Substances List.

Methyl phenkapton 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

Methyl phenkapton 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.

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