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74940-61-7

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Basic Information
CAS No.: 74940-61-7
Name: CHLORACETOPHONE
Molecular Structure:
Molecular Structure of 74940-61-7 (CHLORACETOPHONE)
Formula: C6H9 Cl4 O5 P
Molecular Weight: 333.92
Synonyms: Aceticacid, chloro-, 2,2,2-trichloro-1-(dimethoxyphosphinyl)ethyl ester (9CI); Aceticacid, chloro-, ester with dimethyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate(7CI); Chloracetofon; Chloracetophon
Density: 1.561g/cm3
Boiling Point: 395.3°C at 760 mmHg
Flash Point: 297.4°C
Hazard Symbols: A poison by ingestion.
Safety: A poison by ingestion. Experimental reproductive effects. Mutation data reported. When heated to decomposition it emits toxic vapors of POx and Cl−.
PSA: 71.64000
LogP: 2.95060
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    74940-61-7

    CAS 74940-61-7 Acetic acid, 2-chloro-,2,2,2-trichloro-1-(dimethoxyphosphinyl)ethyl ester

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Chemistry

IUPAC Name: (2,2,2-Trichloro-1-dimethoxyphosphorylethyl) 2-chloroacetate
Synonyms of O,O-Dimethyl (2,2,2-trichloro-1-(chloroacetoxy)ethyl)phosphonate (CAS NO.74940-61-7): Chloracetofon ; Chloracetophon ; Chloracetophone ; Chloroacetic acid 2,2,2-trichloro-1-(dimethoxyphosphinyl)ethyl ester ; Acetic acid, chloro-, 2,2,2-trichloro-1-(dimethoxyphosphinyl)ethyl ester ; Acetic acid, chloro-, ester with dimethyl(2,2,2-trichloro-1-hydroxyethyl)phosphonate (7CI)
InChI: InChI=1/C6H9Cl4O5P/c1-13-16(12,14-2)5(6(8,9)10)15-4(11)3-7/h5H,3H2,1-2H3
InChIKey: AHAAWQBSARNIMQ-UHFFFAOYAJ
Std. InChI: InChI=1S/C6H9Cl4O5P/c1-13-16(12,14-2)5(6(8,9)10)15-4(11)3-7/h5H,3H2,1-2H3
Std. InChIKey: AHAAWQBSARNIMQ-UHFFFAOYSA-N
CAS NO: 74940-61-7
Molecular Formula: C6H9Cl4O5P
Molecular Weight: 333.9184
Molecular Structure :
H bond acceptors: 5
H bond donors: 0
Freely Rotating Bonds: 6
Polar Surface Area: 71.64 Å2
Index of Refraction: 1.485
Molar Refractivity: 61.3 cm3
Molar Volume: 213.8 cm3
Surface Tension: 44.7 dyne/cm
Density: 1.561 g/cm3
Flash Point: 297.4 °C
Enthalpy of Vaporization: 64.55 kJ/mol
Boiling Point: 395.3 °C at 760 mmHg
Vapour Pressure: 1.86E-06 mmHg at 25°C

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 344mg/kg (344mg/kg)   Genetika Vol. 22, Pg. 2540, 1986.
rat LD50 unreported 421mg/kg (421mg/kg)   Mutation Research. Vol. 240, Pg. 203, 1990.

Safety Profile

A poison by ingestion. Experimental reproductive effects. Mutation data reported. When O,O-Dimethyl (2,2,2-trichloro-1-(chloroacetoxy)ethyl)phosphonate (CAS NO.74940-61-7) is heated to decomposition, it emits toxic vapors of POx and Cl−.