134612-80-9

Name 3-METHOXY-4-HYDROXY-5-NITROBENZYL,4'-METHYLBENZYL KETONE
CAS 134612-80-9
Molecular Formula C15H13NO5
MDL Number MFCD08703705
Molecular Weight 287.27
MOL File 134612-80-9.mol
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Chemical Properties

Melting point  135-137 °C(Solv: ethanol (64-17-5))
Boiling point  474.8±45.0 °C(Predicted)
density  1.317±0.06 g/cm3(Predicted)
solubility  DMSO (Slightly), Methanol (Slightly)
form  Solid
pka 4.97±0.38(Predicted)
color  Yellow to Dark Orange
Major Application pharmaceutical (small molecule)
InChI 1S/C15H13NO5/c1-9-3-5-10(6-4-9)14(17)11-7-12(16(19)20)15(18)13(8-11)21-2/h3-8,18H,1-2H3
InChIKey VCNSNEJUGBEWTA-UHFFFAOYSA-N
SMILES [N+](=O)([O-])c1c(c(cc(c1)C(=O)c2ccc(cc2)C)OC)O

Safety Data

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

Hazard Information

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