117811-20-8

Name 8-Chloro-11-(piperidin-4-ylidene)-11H-benzo[5,6]cyclohepta[1,2-b]pyridine
CAS 117811-20-8
Molecular Formula C19H17ClN2
MDL Number MFCD32663202
Molecular Weight 308.8
MOL File 117811-20-8.mol
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Chemical Properties

Melting point  >163°C (dec.)
Boiling point  477.0±45.0 °C(Predicted)
density  1.246±0.06 g/cm3(Predicted)
storage temp.  Amber Vial, -20°C Freezer
solubility  Chloroform (Slightly), Methanol (Slightly)
form  Solid
pka 10.21±0.20(Predicted)
color  Pale Brown
Major Application pharmaceutical small molecule
InChI InChI=1S/C19H17ClN2/c20-16-5-6-17-15(12-16)4-3-14-2-1-9-22-19(14)18(17)13-7-10-21-11-8-13/h1-6,9,12,21H,7-8,10-11H2
InChIKey DSDQPELJDBELOW-UHFFFAOYSA-N
SMILES C12/C(=C3\CCNCC\3)/C3=CC=C(Cl)C=C3C=CC1=CC=CN=2

Safety Data

WGK Germany  WGK 3
Storage Class 11 - Combustible Solids

Hazard Information

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