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2436-17-1

Name 5-Methoxyindole-3-acetonitrile
CAS 2436-17-1
Molecular Formula C11H10N2O
MDL Number MFCD02094163
Molecular Weight 186.21
MOL File 2436-17-1.mol
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Chemical Properties

Appearance Brown powder
Melting point  65-69 °C (lit.)
Boiling point  175-177 °C(Press: 0.01 Torr)
density  1.224±0.06 g/cm3(Predicted)
storage temp.  -20°C Freezer
solubility  Chloroform (Slightly), Methanol (Slightly)
form  Solid
pka 16.02±0.30(Predicted)
color  Very Dark Brown
InChI InChI=1S/C11H10N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4H2,1H3
InChIKey ZBQCXEREMRGOCO-UHFFFAOYSA-N
SMILES N1C2=C(C=C(OC)C=C2)C(CC#N)=C1
CAS DataBase Reference 2436-17-1(CAS DataBase Reference)

Safety Data

Hazard Codes  Xi
WGK Germany  3
HazardClass  IRRITANT
HS Code  2933998090

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