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| CAS No.: | 953-17-3 |
|---|---|
| Name: | CARBOPHENOTHION-METHYL |
| Article Data: | 3 |
| Molecular Structure: | |
|
|
|
| Formula: | C9H12 Cl O2 P S3 |
| Molecular Weight: | 314.818 |
| Synonyms: | Phosphorodithioicacid, S-[[(p-chlorophenyl)thio]methyl] O,O-dimethyl ester (6CI,8CI);Carbophenothion methyl; Methyl carbophenothion; Methyl trithion; NSC 231692;S-[[(p-Chlorophenyl)thio]methyl] O,O-dimethyl phosphorodithioate; Stauffer R1492; Trithion-methyl |
| Density: | 1.39g/cm3 |
| Melting Point: | -17.9°C |
| Boiling Point: | 370.5°Cat760mmHg |
| Flash Point: | 177.9°C |
| Solubility: | 1.63mg/L(20 oC) |
| Hazard Symbols: |
 
|
| Risk Codes: | 24/25-50/53 |
| Safety: | Poison by ingestion and skin contact routes. A cholinesterase inhibitor type of insecticide. When heated to decomposition it emits very toxic fumes of Cl−, POx, and SOx. See also PARATHION. |
| PSA: | 110.96000 |
| LogP: | 5.29070 |
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Chemistry
Molecule structure of Methyl trithion (CAS NO.953-17-3) :
IUPAC Name: (4-chlorophenyl)sulfanylmethylsulfanyl-dimethoxy-sulfanylidene-λ5-phosphane
Molecular Weight: 314.812141 g/mol
Molecular Formula: C9H12ClO2PS3
Density: 1.39 g/cm3
Boiling Point: 370.5 °C at 760 mmHg
Flash Point: 177.9 °C
Index of Refraction: 1.616
Molar Refractivity: 78.71 cm3
Molar Volume: 225.2 cm3
Polarizability: 31.2*10-24 cm3
Surface Tension: 57.1 dyne/cm
Enthalpy of Vaporization: 59.31 kJ/mol
log P (octanol-water): 4.82
Water Solubility: 1.6 mg/L
Vapor Pressure: 2.67E-05 mm Hg
Henry's Law Constant: 1.00E-07 atm-m3/mole
Atmospheric OH Rate Constant: 2.12E-10 cm3/molecule-sec
XLogP3: 4.8
H-Bond Acceptor: 2
Rotatable Bond Count: 6
Exact Mass: 313.942556
MonoIsotopic Mass: 313.942556
Topological Polar Surface Area: 18.5
Heavy Atom Count: 16
Complexity: 239
Canonical SMILES: COP(=S)(OC)SCSC1=CC=C(C=C1)Cl
InChI: InChI=1S/C9H12ClO2PS3/c1-11-13(14,12-2)16-7-15-9-5-3-8(10)4-6-9/h3-6H,7H2,1-2H3
InChIKey: OUCCVXVYGFBXSV-UHFFFAOYSA-N
Toxicity Data With Reference
| 1. | orl-rat LD50:48 mg/kg | ARSIM* Agricultural Research Service, USDA Information Memorandum. 20 (1966),10. | ||
| 2. | skn-rat LD50:190 mg/kg | WRPCA2 World Review of Pest Control. 9 (1970),119. | ||
| 3. | orl-mus LD50:112 mg/kg | ARSIM* Agricultural Research Service, USDA Information Memorandum. 20 (1966),10. | ||
| 4. | skn-rbt LD50:2420 mg/kg | BESAAT Bulletin of the Entomological Society of America. 12 (1966),161. |
Safety Profile
Poison by ingestion and skin contact routes. A cholinesterase inhibitor type of insecticide. When heated to decomposition it emits very toxic fumes of Cl−, POx, and SOx. See also PARATHION.
Hazard Codes: 
T, 
N
Risk Statements: 24/25-50/53
R24:Toxic in contact with skin.
R25 :Toxic if swallowed.
R50/53:Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
Safety Statements: 28-36/37-45-60-61
S28:After contact with skin, wash immediately with plenty of soap-suds.
S36/37:Wear suitable protective clothing and gloves.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S60:This material and its container must be disposed of as hazardous waste.
S61:Avoid release to the environment. Refer to special instructions / safety data sheets.
RIDADR: 3018
HazardClass: 6.1(a)
PackingGroup: II
Specification
Methyl trithion (CAS NO.953-17-3) is also called 4-06-00-01595 (Beilstein Handbook Reference) ; AI3-25586 ; BRN 2506804 ; Carbophenothion methyl ; Caswell No. 212 ; Dimethyl p-chlorophenylthiomethyl dithiophosphate ; ENT 25,599 ;
EPA Pesticide Chemical Code 058101 ; G-29288 ; Geigy G-29288 ; HSDB 1545 ; Methanethiol, ((p-chlorophenyl)thio)-, S-ester with O,O-dimethyl phosphorodithioate ; Methyl Carbophenothion ; Methylcarbophenothion ; O,O-Dimethyl-S-(p-chlorophenylthiomethyl)phosphorodithioate ; O,O-Dimethylthiophosphoric acid p-chlorophenyl ester ; Phosphorodithioic acid, S-(((4-chlorophenyl)thio)methyl) O,O-dimethyl ester ; R-1492 ; S-(((4-Chlorophenyl)thio)methyl) O,O-dimethylphosphorodithioate ; S-(((p-Chlorophenyl)thio)methyl) O,O-dimethyl phosphorodithioate ; Stauffer R-1492 ; Tri-Me ; Trithion-methyl . Methyl trithion (CAS NO.953-17-3) is high toxic. It is flammable. It will produce toxic oxidation of phosphorus, sulfur, chloride gas by heat. So the storage environment should be ventilate, low-temperature and dry. Keep Methyl trithion (CAS NO.953-17-3) separate from raw materials of food.