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Dicofol Structure

Dicofol

Chemical Properties

Melting point 78.5°C
Boiling point 225°C
Density  1.45
vapor pressure  5.3 x 10-5 Pa
refractive index  1.6000 (estimate)
Flash point 11 °C
storage temp.  APPROX 4°C
solubility  DMSO: Slightly soluble
form  A solid
pka 10.70±0.29(Predicted)
Water Solubility  Slightly soluble. <0.01 g/100 mL at 22 ºC
Merck  13,3113
Henry's Law Constant 4.1×101 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
Stability Stable. Combustible. Incompatible with strong oxidizing agents. Hydrolyzes in basic solution. Corrodes some metals.
InChI 1S/C14H9Cl5O/c15-11-5-1-9(2-6-11)13(20,14(17,18)19)10-3-7-12(16)8-4-10/h1-8,20H
InChIKey UOAMTSKGCBMZTC-UHFFFAOYSA-N
SMILES OC(c1ccc(Cl)cc1)(c2ccc(Cl)cc2)C(Cl)(Cl)Cl
CAS DataBase Reference 115-32-2(CAS DataBase Reference)
IARC 3 (Vol. 30, Sup 7) 1987
NIST Chemistry Reference Acetic acid, [3,5-diiodo-4-(4-hydroxy-3-iodophenoxy) phenyl]-, 2-[diethylamino]ethyl ester, hydrochloride(115-32-2)
EPA Substance Registry System Dicofol (115-32-2)

Safety Information

Hazard Codes  Xn;N,N,Xn,T,F
Risk Statements  21/22-38-43-50/53-39/23/24/25-23/24/25-11
Safety Statements  36/37-60-61-45-16-7
RIDADR  UN 2761/3077
WGK Germany  WGK 3
RTECS  DC8400000
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Dermal
Acute Tox. 4 Oral
Aquatic Acute 1
Aquatic Chronic 1
Skin Irrit. 2
Skin Sens. 1
Hazardous Substances Data 115-32-2(Hazardous Substances Data)
Toxicity LD50 in rats (mg/kg): 1495 orally; 1150 i.p. (Brown)

Usage And Synthesis