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CYCLANILIDE Structure

CYCLANILIDE

Chemical Properties

Melting point approximate 196℃
Boiling point 513.2±50.0 °C(Predicted)
Density  1.4691-1.4820 g/cm3
storage temp.  Sealed in dry,Room Temperature
Water Solubility  Practically insoluble in water
solubility  DMSO (Slightly), Methanol (Slightly, Sonicated)
pka 3.39±0.20(Predicted)
color  White to Light yellow
Henry's Law Constant 1.4×104 mol/(m3Pa) at 25℃, MacBean (2012)
InChI InChI=1S/C11H9Cl2NO3/c12-6-1-2-8(7(13)5-6)14-9(15)11(3-4-11)10(16)17/h1-2,5H,3-4H2,(H,14,15)(H,16,17)
InChIKey GLWWLNJJJCTFMZ-UHFFFAOYSA-N
SMILES C1(C(NC2=CC=C(Cl)C=C2Cl)=O)(C(O)=O)CC1
CAS DataBase Reference 113136-77-9
EPA Substance Registry System Cyclanilide (113136-77-9)

Safety Information

Hazard Codes  Xn,N
Risk Statements  22-51/53
Safety Statements  61
RIDADR  2811
WGK Germany  2
HS Code  2924.29.4700
HazardClass  6.1(b)
PackingGroup  III
Hazardous Substances Data 113136-77-9(Hazardous Substances Data)

Usage And Synthesis

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