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Dicoumarol Structure

Dicoumarol

Chemical Properties

Melting point 290-292 °C(lit.)
Boiling point 392.79°C (rough estimate)
Density  1.2864 (rough estimate)
refractive index  1.4450 (estimate)
storage temp.  Sealed in dry,Room Temperature
solubility  DMSO:3.06(Max Conc. mg/mL);9.1(Max Conc. mM)
DMSO:PBS (pH 7.2) (1:1):0.5(Max Conc. mg/mL);1.49(Max Conc. mM)
DMF:1.25(Max Conc. mg/mL);3.72(Max Conc. mM)
Water:50.0(Max Conc. mg/mL);148.68(Max Conc. mM)
pka 4.20±1.00(Predicted)
form  Fine Crystalline Powder
color  White
Water Solubility  Soluble in aqueous alkaline solutions, organic bases, 0.1 N NaOH (15 mg/ml), Pyridine (50 mg/ml), chloroform (slightly soluble), and benzene (slightly soluble). Insoluble in water, and alcohols.
Merck  14,3090
EPA Substance Registry System 2H-1-Benzopyran-2-one, 3,3'-methylenebis[4-hydroxy- (66-76-2)

Safety Information

Hazard Codes  T,N
Risk Statements  22-48/25-51/53
Safety Statements  37-45-61
RIDADR  UN 2811 6.1/PG 3
WGK Germany  3
RTECS  GN7875000
TSCA  Yes
HazardClass  6.1(b)
PackingGroup  III
HS Code  29322985
Hazardous Substances Data 66-76-2(Hazardous Substances Data)
Toxicity LD50 orally in rats: 541.6 mg/kg (Rose)

MSDS

Usage And Synthesis

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