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| CAS No.: | 1498-64-2 |
|---|---|
| Name: | ETHYL DICHLOROTHIOPHOSPHATE |
| Article Data: | 22 |
| Molecular Structure: | |
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|
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| Formula: | C2H5 Cl2 O P S |
| Molecular Weight: | 179.007 |
| Synonyms: | (Dichloroethoxy)phosphinesulfide;Ethyl dichlorothiophosphate;Ethyl phosphonodichloridothionate;Ethylphosphorodichloridothionate;Ethyl thiophosphorodichloridate;Ethylphosphorothioic dichloride;NSC 91481;O-Ethyl dichlorothiophosphate;O-Ethyl phosphorodichloridothioate;O-Ethyl phosphorodichlorothioate;O-Ethylphosphorothiodichloridate;O-Ethylthiophosphoryl dichloride;Phosphine sulfide,dichloroethoxy-; |
| EINECS: | 216-100-4 |
| Density: | 1.458g/cm3 |
| Boiling Point: | 180.5°Cat760mmHg |
| Flash Point: | 63°C |
| Hazard Symbols: |
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| Risk Codes: | 23/24/25-34 |
| Safety: | Poison by inhalation. Moderately toxic by ingestion. A powerful irritant. When heated to decomposition it emits very toxic fumes of Cl−, POx, and SOx. |
| PSA: | 51.13000 |
| LogP: | 3.37560 |
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Chemistry
Molecule structure of Monoethyldichlorothiophosphate (CAS NO.1498-64-2):
IUPAC Name: Dichloro-ethoxy-sulfanylidene-λ5-phosphane
Molecular Weight: 179.005261 g/mol
Molecular Formula: C2H5Cl2OPS
Density: 1.458 g/cm3
Boiling Point: 180.5 °C at 760 mmHg
Flash Point: 63 °C
Index of Refraction: 1.513
Molar Refractivity: 36.89 cm3
Molar Volume: 122.6 cm3
Polarizability: 14.62×10-24 cm3
Surface Tension: 47.3 dyne/cm
Enthalpy of Vaporization: 39.97 kJ/mol
Vapour Pressure: 1.21 mmHg at 25 °C
XLogP3-AA: 3.1
H-Bond Acceptor: 1
Rotatable Bond Count: 2
Exact Mass: 177.917577
MonoIsotopic Mass: 177.917577
Topological Polar Surface Area: 9.2
Heavy Atom Count: 7
Complexity: 89.7
Canonical SMILES: CCOP(=S)(Cl)Cl
InChI: InChI=1S/C2H5Cl2OPS/c1-2-5-6(3,4)7/h2H2,1H3
InChIKey: SMODMOZAUKBGGM-UHFFFAOYSA-N
EINECS: 216-100-4
Uses
Monoethyldichlorothiophosphate is used to synthetic organic phosphorus insecticide isopropylamine P (ethyl isofenphos) and grass herbicides amine phosphate, phosphorus grass suppression.
Production
Adding fresh trichloro parathion to reactor, cooled to -2 °C, dropping ethanol slowly and keeping reaction temperature at (0 ± 2) °C with negative pressure. Then removing the generated hydrogen chloride, go to distilling when the reaction is completed, continue distilling to get products.
Toxicity Data With Reference
| 1. | orl-rat LD50:900 mg/kg | HYSAAV Hygiene and Sanitation: English Translation of Gigiena Sanitariya. 33 (12)(1968),334. | ||
| 2. | ihl-rat LCLo:32 ppm/4H | 28ZPAK Sbornik Vysledku Toxixologickeho Vysetreni Latek A Pripravku Marhold, J.V.,Institut Pro Vychovu Vedoucicn Pracovniku Chemickeho Prumyclu Praha,Czechoslovakia.: 1972,214. | ||
| 3. | orl-mus LD50:720 mg/kg | HYSAAV Hygiene and Sanitation: English Translation of Gigiena Sanitariya. 33 (12)(1968),334. | ||
| 4. | ihl-mus LCLo:3060 mg/m3/10M | NDRC** National Defense Research Committee, Office of Scientific Research and Development, Progress Report NDCrc-132,Nov ,1942. | ||
| 5. | orl-rbt LD50:850 mg/kg | HYSAAV Hygiene and Sanitation: English Translation of Gigiena Sanitariya. 33 (12)(1968),334. | ||
| 6. | orl-gpg LD50:750 mg/kg | HYSAAV Hygiene and Sanitation: English Translation of Gigiena Sanitariya. 33 (12)(1968),334. |
Safety Profile
Hazard Codes: 
T
Risk Statements: 23/24/25-34
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed.
R34:Causes burns.
Safety Statements: 22-26-36/37/39-45
S22:Do not breathe dust.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR: UN 3390 6.1/PG 1
WGK Germany: 3
RTECS: TD4400000
HazardClass: 6.1(a)
PackingGroup: II
Poison by inhalation. Moderately toxic by ingestion. A powerful irritant. When heated to decomposition it emits very toxic fumes of Cl−, POx, and SOx.
Specification
Monoethyldichlorothiophosphate (CAS NO.1498-64-2) is also named as 4-01-00-01353 (Beilstein Handbook Reference) ; BRN 1702237 ; Ethyl dichlorothiophosphate ; Ethyl phosphonodichloridothionate ; Ethyl phosphorodichloridothionate ; Ethyl thiophosphorodichloridate ; Ethyldichlorthiofosfat ; Ethyldichlorthiofosfat [Czech] ; Ethylphosphorothioic dichloride ; NSC 91481 ; O-Ethyl dichlorothiophosphate ; O-Ethyl phosphorodichloridothioate ; O-Ethyl phosphorothiodichloridate ; O-Ethylester kyseliny dichlorthiofosforecne ; O-Ethylester kyseliny dichlorthiofosforecne [Czech] ; O-Ethylthiophosphoryl dichloride ; Phosphine sulfide, dichloroethoxy- ; TL 429 . Monoethyldichlorothiophosphate (CAS NO.1498-64-2) is colorless liquid and soluble in toluene.