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112559-81-6

Name 4-(4-(4-Nitrophenyl)-1-piperazinyl)phenol
CAS 112559-81-6
EINECS(EC#) 601-189-8
Molecular Formula C16H17N3O3
MDL Number MFCD08460988
Molecular Weight 299.32
MOL File 112559-81-6.mol
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Chemical Properties

Melting point  >90°C (dec.)
Boiling point  540.8±50.0 °C(Predicted)
density  1.317±0.06 g/cm3(Predicted)
storage temp.  Sealed in dry,Room Temperature
solubility  DMSO (Slightly, Heated)
form  Solid
pka 12.18±0.30(Predicted)
color  Yellow to Brown
InChI InChI=1S/C16H17N3O3/c20-16-7-5-14(6-8-16)18-11-9-17(10-12-18)13-1-3-15(4-2-13)19(21)22/h1-8,20H,9-12H2
InChIKey BNHYDULILNJFFY-UHFFFAOYSA-N
SMILES C1(O)=CC=C(N2CCN(C3=CC=C([N+]([O-])=O)C=C3)CC2)C=C1
CAS DataBase Reference 112559-81-6(CAS DataBase Reference)

Safety Data

Symbol(GHS) 
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319
Precautionary statements  P261-P305+P351+P338

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