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5005-37-8

Name alpha-(4-chlorophenyl)pyridine-2-acetonitrile
CAS 5005-37-8
EINECS(EC#) 225-678-7
Molecular Formula C13H9ClN2
MDL Number MFCD00023489
Molecular Weight 228.68
MOL File 5005-37-8.mol
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Chemical Properties

Melting point  67.5-67.8 °C
Boiling point  165 °C(Press: 3 Torr)
density  1.238±0.06 g/cm3(Predicted)
storage temp.  Sealed in dry,2-8°C
pka 4.08±0.10(Predicted)
InChI InChI=1S/C13H9ClN2/c14-11-6-4-10(5-7-11)12(9-15)13-3-1-2-8-16-13/h1-8,12H
InChIKey TVLXKCIMEBLREH-UHFFFAOYSA-N
SMILES C1(C(C2=CC=C(Cl)C=C2)C#N)=NC=CC=C1

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