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Bendazac Structure

Bendazac

Chemical Properties

Melting point 161-163°C
Boiling point 424.91°C (rough estimate)
Density  1.1658 (rough estimate)
refractive index  1.6240 (estimate)
storage temp.  Sealed in dry,Room Temperature
solubility  DMSO (Slightly), Methanol (Slightly, Heated)
form  Solid
pka 2.89±0.10(Predicted)
color  Crystals from ethanol
λmax 306nm(lit.)
Merck  14,1035
InChI InChI=1S/C16H14N2O3/c19-15(20)11-21-16-13-8-4-5-9-14(13)18(17-16)10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,19,20)
InChIKey BYFMCKSPFYVMOU-UHFFFAOYSA-N
SMILES C(O)(=O)COC1C2=C(N(CC3=CC=CC=C3)N=1)C=CC=C2
CAS DataBase Reference 20187-55-7(CAS DataBase Reference)

Safety Information

WGK Germany  WGK 3
RTECS  AF5085000
HS Code  2933998090
Storage Class 11 - Combustible Solids
Toxicity LD50 in mice, rats (mg/kg): 380, 304 i.v.; 355, 388 i.p.; 440, 910 s.c.; 1105, ~1200 orally (Rx Bulletin)

Usage And Synthesis

Preparation Products And Raw materials

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