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74548-80-4

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Basic Information
CAS No.: 74548-80-4
Name: O,O-Diphenyl (1-acetoxy-2,2,2-trichloroethyl)phosphonate
Molecular Structure:
Molecular Structure of 74548-80-4 (O,O-Diphenyl (1-acetoxy-2,2,2-trichloroethyl)phosphonate)
Formula: C16H14 Cl3 O5 P
Molecular Weight: 423.617
Synonyms: Aphos;Diphenyl 1-acetoxy-2,2,2-trichloroethylphosphonate
Density: 1.443g/cm3
Boiling Point: 501.6°C at 760 mmHg
Flash Point: 434.9°C
Safety: Moderately toxic by ingestion. Experimental reproductive effects. When heated to decomposition it emits toxic vapors of POx and Cl−.
PSA: 71.64000
LogP: 5.59690
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  • Phosphonic acid,[1-(acetyloxy)-2,2,2-trichloroethyl]-, diphenyl ester (9CI)

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    Phosphonic acid,[1-(acetyloxy)-2,2,2-trichloroethyl]-, diphenyl ester (9CI)

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Chemistry

IUPAC Name: (2,2,2-Trichloro-1-diphenoxyphosphorylethyl) acetate
Synonyms of O,O-Diphenyl (1-acetoxy-2,2,2-trichloroethyl)phosphonate (CAS NO.74548-80-4): (1-(Acetyloxy)-2,2,2-trichloroethyl)phosphonic acid diphenyl ester ; Aphos ; Phosphonic acid, (1-(acetyloxy)-2,2,2-trichloroethyl)-, diphenyl ester  
InChI: InChI=1/C16H14Cl3O5P/c1-12(20)22-15(16(17,18)19)25(21,23-13-8-4-2-5-9-13)24-14-10-6-3-7-11-14/h2-11,15H,1H3
InChIKey: RJUFATJOENABQE-UHFFFAOYAI
Std. InChI: InChI=1S/C16H14Cl3O5P/c1-12(20)22-15(16(17,18)19)25(21,23-13-8-4-2-5-9-13)24-14-10-6-3-7-11-14/h2-11,15H,1H3
Std. InChIKey: RJUFATJOENABQE-UHFFFAOYSA-N
CAS NO: 74548-80-4
Molecular Formula: C16H14Cl3O5P
Molecular Weight: 423.6121
Molecular Structure :
H bond acceptors: 5
H bond donors: 0
Freely Rotating Bonds: 7
Polar Surface Area: 71.64 Å2
Index of Refraction: 1.569
Molar Refractivity: 96.2 cm3
Molar Volume: 293.5 cm3
Surface Tension: 49.8 dyne/cm
Density: 1.443 g/cm3
Flash Point: 434.9 °C
Enthalpy of Vaporization: 77.05 kJ/mol
Boiling Point: 501.6 °C at 760 mmHg
Vapour Pressure: 3.41E-10 mmHg at 25°C

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1720mg/kg (1720mg/kg)   Zashchita Rastenii Vol. (6), Pg. 36, 1985.
rat LD50 oral 3280mg/kg (3280mg/kg)   Zashchita Rastenii Vol. (6), Pg. 36, 1985.
rat LD50 unreported 2134mg/kg (2134mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 50(3), Pg. 57, 1985.

Safety Profile

Moderately toxic by ingestion. Experimental reproductive effects. When O,O-Diphenyl (1-acetoxy-2,2,2-trichloroethyl)phosphonate (CAS NO.74548-80-4) is heated to decomposition ,it emits toxic vapors of POx and Cl−.