-
Name
Phosphoric acid dimethyl 1,2,2,2-tetrachloroethyl ester
- EINECS
- CAS No. 3862-21-3
- Density 1.588g/cm3
- Solubility
- Melting Point
- Formula C4H7Cl4O4P
- Boiling Point 251.4°Cat760mmHg
- Molecular Weight 291.88
- Flash Point 111.2°C
- Transport Information
- Appearance
- Safety Poison by ingestion and intraperitoneal routes. When heated to decomposition it emits very toxic fumes of Cl− and POx.
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms phosphoric acid dimethyl ester 1,2,2,2-tetrachloro-ethyl ester;Dimethyl-tetrachloraethyl-phosphat;Phosphoric acid,dimethyl 1,2,2,2-tetrachloroethyl ester;1,2,2,2-Tetrachlorethyl-dimethyl-phosphat;Dimethyl-tetrachloraethyl-phosphat [German];
- PSA 54.57000
- LogP 3.33900
Dimethyl-1,2,2,2-tetrachloroethyl phosphate Chemical Properties
Molecule structure of Dimethyl-1,2,2,2-tetrachloroethyl phosphate (CAS NO.3862-21-3) :
IUPAC Name: dimethyl 1,2,2,2-tetrachloroethyl phosphate
Molecular Weight: 291.881741 g/mol
Molecular Formula: C4H7Cl4O4P
Density: 1.588 g/cm3
Boiling Point: 251.4 °C at 760 mmHg
Flash Point: 111.2 °C
Index of Refraction: 1.477
Molar Refractivity: 52.01 cm3
Molar Volume: 183.7 cm3
Polarizability: 20.61*10-24 cm3
Surface Tension: 42.3 dyne/cm
Enthalpy of Vaporization: 46.89 kJ/mol
Vapour Pressure: 0.0326 mmHg at 25 °C
XLogP3-AA: 2.1
H-Bond Acceptor: 4
Rotatable Bond Count: 4
Exact Mass: 291.880656
MonoIsotopic Mass: 289.883606
Topological Polar Surface Area: 44.8
Heavy Atom Count: 13
Complexity: 197
Canonical SMILES: COP(=O)(OC)OC(C(Cl)(Cl)Cl)Cl
InChI: InChI=1S/C4H7Cl4O4P/c1-10-13(9,11-2)12-3(5)4(6,7)8/h3H,1-2H3
InChIKey of Dimethyl-1,2,2,2-tetrachloroethyl phosphate (CAS NO.3862-21-3) : KWIDLTWZQJKRFD-UHFFFAOYSA-N
Dimethyl-1,2,2,2-tetrachloroethyl phosphate Toxicity Data With Reference
| 1. | orl-rat LD50:14 mg/kg | JAFCAU Journal of Agricultural and Food Chemistry. 8 (1960),196. | ||
| 2. | ipr-mus LD50:5 mg/kg | PAREAQ Pharmacological Reviews. 11 (1959),636. |
Dimethyl-1,2,2,2-tetrachloroethyl phosphate Safety Profile
Poison by ingestion and intraperitoneal routes. When heated to decomposition it emits very toxic fumes of Cl− and POx.
Dimethyl-1,2,2,2-tetrachloroethyl phosphate Specification
Dimethyl-1,2,2,2-tetrachloroethyl phosphate (CAS NO.3862-21-3) is also called 4-01-00-03149 (Beilstein Handbook Reference) ; BRN 1711307 ; Dimethyl-tetrachloraethyl-phosphat ; Dimethyl-tetrachloraethyl-phosphat [German] ; Phosphoric acid, dimethyl 1,2,2,2-tetrachloroethyl ester .
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