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76541-72-5

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Basic Information
CAS No.: 76541-72-5
Name: (4-CHLOROPHENYL)(DIMETHOXYPHOSPHINYL)METHYL PHOSPHORIC ACID DIMETHYL ESTER
Article Data: 1
Molecular Structure:
Molecular Structure of 76541-72-5 ((4-CHLOROPHENYL)(DIMETHOXYPHOSPHINYL)METHYL PHOSPHORIC ACID DIMETHYL ESTER)
Formula: C11H17 Cl O7 P2
Molecular Weight: 358.652
Synonyms: Mifobate;SR 202
Density: 1.355g/cm3
Boiling Point: 436.6°C at 760 mmHg
Flash Point: 350.8°C
Safety: Moderately toxic by ingestion and intraperitoneal routes. When heated to decomposition it emits toxic fumes of Cl− and POx.
PSA: 99.91000
LogP: 4.24200
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Chemistry

IUPAC Name: [(4-Chlorophenyl)-dimethoxyphosphorylmethyl] dimethyl phosphate
Synonyms of Claniclor (CAS NO.76541-72-5) :  (4-Chlorophenyl)(dimethoxyphosphinyl)methyl phosphoric acid dimethyl ester ; Clenicor ; Dimethyl (p-chloro-alpha-hydroxybenzyl)phosphonate, dimethyl phosphate ; Mifobate ; Mifobato ; Mifobatum ; Phosphoric acid, (4-chlorophenyl)(dimethoxyphosphinyl)methyl dimethyl ester 
InChI:InChI=1/C11H17ClO7P2/c1-15-20(13,16-2)11(19-21(14,17-3)18-4)9-5-7-10(12)8-6-9/h5-8,11H,1-4H3     
Product Categories: Intracellular receptor
CAS NO:76541-72-5 
Molecular Formula:C11H17ClO7P2                   
Molecular Weight :358.649                          
Molecular Structure :
Index of Refraction:  1.494 
Surface Tension:  43.7 dyne/cm 
Density:  1.355 g/cm3 
Flash Point:  350.8 °C 
Enthalpy of Vaporization:  66.64 kJ/mol 
Boiling Point:  436.6 °C at 760 mmHg 
Vapour Pressure:  2.04E-07 mmHg at 25°C  
Storage temp: −20°C
Solubility DMSO: 5 mg/mL
Appearance: white crystalline
 

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 500mg/kg (500mg/kg)   Drugs of the Future. Vol. 7, Pg. 271, 1982.
mouse LD50 oral 2gm/kg (2000mg/kg)   Drugs of the Future. Vol. 7, Pg. 271, 1982.
rat LD50 intraperitoneal 580mg/kg (580mg/kg)   Drugs of the Future. Vol. 7, Pg. 271, 1982.
rat LD50 oral 3200mg/kg (3200mg/kg)   Drugs of the Future. Vol. 7, Pg. 271, 1982.

Safety Profile

Moderately toxic by ingestion and intraperitoneal routes. When Claniclor (CAS NO.76541-72-5) is heated to decomposition ,it emits toxic fumes of Cl− and POx.

Safety Statements 22-24/25
S22:Do not breathe dust. 
S24/25:Avoid contact with skin and eyes.
WGK Germany 2
RTECS TB8817000