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5952-41-0

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Basic Information
CAS No.: 5952-41-0
Name: chloracetophos
Molecular Structure:
Molecular Structure of 5952-41-0 (chloracetophos)
Formula: C6H10 Cl3 O5 P
Molecular Weight: 299.48
Synonyms: Phosphonicacid, (2,2,2-trichloro-1-hydroxyethyl)-, dimethyl ester, acetate (6CI,7CI,8CI);Phosphonic acid, [1-(acetyloxy)-2,2,2-trichloroethyl]-, dimethyl ester (9CI);Acetoxy-trichlorfon; Chloracetophos; Dimethyl(1-acetoxy-2,2,2-trichloroethyl)phosphonate; Trichlorfon acetate
Density: 1.478g/cm3
Boiling Point: 352.4°C at 760 mmHg
Flash Point: 241.9°C
Hazard Symbols: Moderately toxic.
Safety: Moderately toxic by intraperitoneal and intramuscular routes. When heated to decomposition it emits toxic vapors of POx and Cl−.
PSA: 71.64000
LogP: 2.73170
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    Phosphonic acid,P-[1-(acetyloxy)-2,2,2-trichloroethyl]-, dimethyl ester

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Chemistry

IUPAC Name: (2,2,2-Trichloro-1-dimethoxyphosphorylethyl) acetate
Synonyms of Chloracetophos (CAS NO.5952-41-0): 4-02-00-00283 (Beilstein Handbook Reference) ; AI3-20766 ; Acetoxy-trichlorfon ; Acetyl dipterex ; BRN 1813194 ; Chloracetophos ; Dipterex, acetyl- ; Phosphonic acid, (2,2,2-trichloro-1-hydroxyethyl)-, dimethyl ester, acetate (ester) ; Acetic acid, ester with dimethyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate ; Phosphonic acid, (1-(acetyloxy)-2,2,2-trichloroethyl)-, dimethyl ester (9CI) ; Phosphonic acid, (l-(acetyloxy)-2,2,2-trichloroethyl)-, dimethyl ester
CAS NO: 5952-41-0
Molecular Formula of Chloracetophos (CAS NO.5952-41-0): C6H10Cl3O5P 
Molecular Weight: 299.4734  
H bond acceptors: 5
H bond donors: 0
Freely Rotating Bonds: 5
Polar Surface Area: 71.64 Å2
Index of Refraction: 1.469
Molar Refractivity: 56.45 cm3
Molar Volume: 202.5 cm3
Surface Tension: 41.7 dyne/cm
Density of Chloracetophos (CAS NO.5952-41-0): 1.478 g/cm3
Flash Point: 241.9 °C
Enthalpy of Vaporization: 59.72 kJ/mol
Boiling Point: 352.4 °C at 760 mmHg
Vapour Pressure: 3.84E-05 mmHg at 25°C
Molecular Structure:

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intramuscular 700mg/kg (700mg/kg)   Pharmaceutical Chemistry Journal Vol. 11, Pg. 38, 1977.
rat LD50 intraperitoneal 800mg/kg (800mg/kg)   Archives of Environmental Health. Vol. 7, Pg. 612, 1963.

Safety Profile

Moderately toxic by intraperitoneal and intramuscular routes. When heated to decomposition it emits toxic vapors of POx and Cl−.