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993-86-2

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Basic Information
CAS No.: 993-86-2
Name: Diethyl 1-hydroxy-2,2,2-trichloroethylphosphonate
Article Data: 3
Molecular Structure:
Molecular Structure of 993-86-2 (Diethyl 1-hydroxy-2,2,2-trichloroethylphosphonate)
Formula: C6H12 Cl3 O4 P
Molecular Weight: 285.492
Synonyms: Diethyl1-hydroxy-2,2,2-trichloroethylphosphonate; Ethyl Dipterex; Ethyl chlorophos;Ethyl trichlorfon; Ethyltrichlorphon; NSC 404323; O,O-Diethyl(1-hydroxy-2,2,2-trichloroethyl)phosphonate; Trichlorfon ethyl
Density: 1.452g/cm3
Melting Point: 57.5°C
Boiling Point: 302.9°Cat760mmHg
Flash Point: 137°C
Safety: Poison by intraperitoneal route. An experimental teratogen. Other experimental reproductive effects. When heated to decomposition it emits toxic fumes of Cl− and POx. See also ESTERS.
PSA: 65.57000
LogP: 2.94110
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Chemistry

IUPAC Name: 2,2,2-Trichloro-1-diethoxyphosphorylethanol
Synonyms of Ethyltrichlorphon (CAS NO.993-86-2): (1-Hydroxy-2,2,2-trichloroethyl)phosphonic acid diethyl ester ; 1-Hydroxy-2,2,2-trichloroethyl diethyl phosphonite ; Aethyltrichlorphon ; Diethyl 1-hydroxy-2,2,2-trichloroethylphosphonate ; Diethyl 1-hydroxy-2,2,2-trichloroethylphosphonate ; Ethanephosphonic acid, 2,2,2-trichloro-1-hydroxy-, diethyl ester ; Ethyl Dipterex ; Ethyl trichlorfon ; O,O-Diethyl (1-hydroxy-2,2,2-trichloroethyl)phosphonate ; Ethyltrichlorphon ; O,O-Diethyl (1-hydroxy-2,2,2-trichloroethyl)phosphonate ; Phosphonic acid, (1-hydroxy-2,2,2-trichloroethyl)-, diethyl ester ; Trichlorfon ethyl
CAS NO: 993-86-2
Molecular Formula: C6H12Cl3O4P
Molecular Weight : 285.4898
Molecular Structure:
H bond acceptors: 4
H bond donors: 1
Freely Rotating Bonds: 6
Polar Surface Area: 54.57 Å2
Index of Refraction: 1.483
Molar Refractivity: 56.21 cm3
Molar Volume: 196.5 cm3 
Surface Tension: 44.2 dyne/cm
Density: 1.452 g/cm3
Flash Point: 137 °C
Enthalpy of Vaporization: 63 kJ/mol
Boiling Point: 302.9 °C at 760 mmHg
Vapour Pressure: 9.26E-05 mmHg at 25°C

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 400mg/kg (400mg/kg)   Zeitschrift fuer die Gesamte Hygiene und Ihre Grenzgebiete. Vol. 22, Pg. 565, 1976.

Safety Profile

Poison by intraperitoneal route. An experimental teratogen. Other experimental reproductive effects. When Ethyltrichlorphon (CAS NO.993-86-2) is heated to decomposition, it emits toxic fumes of Cl− and POx. See also ESTERS.