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1599432-08-2

Name NIBR189
CAS 1599432-08-2
Molecular Formula C21H21BrN2O3
MDL Number MFCD13304236
Molecular Weight 429.31
MOL File 1599432-08-2.mol
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Chemical Properties

Boiling point  639.7±55.0 °C(Predicted)
density  1.403±0.06 g/cm3(Predicted)
storage temp.  Desiccate at -20°C
solubility  ≥42.9 mg/mL in DMSO; insoluble in H2O; insoluble in EtOH
form  solid
pka -0.86±0.70(Predicted)
color  White to off-white
InChI 1S/C21H21BrN2O3/c1-27-19-9-5-17(6-10-19)21(26)24-14-12-23(13-15-24)20(25)11-4-16-2-7-18(22)8-3-16/h2-11H,12-15H2,1H3/b11-4+
InChIKey OFHXXBRBGWUOHR-NYYWCZLTSA-N
SMILES Brc1ccc(cc1)\C=C\C(=O)N2CCN(CC2)C(=O)c3ccc(cc3)OC

Safety Data

Symbol(GHS) 
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P261-P305+P351+P338
WGK Germany  WGK 3
Storage Class 11 - Combustible Solids

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