425613-09-8

Name SJ000291942
CAS 425613-09-8
Molecular Formula C16H15FN2O4
MDL Number MFCD02219567
Molecular Weight 318.3
MOL File 425613-09-8.mol

Chemical Properties

Boiling point  525.4±50.0 °C(Predicted)
density  1.327±0.06 g/cm3(Predicted)
storage temp.  Store at -20°C
solubility  DMF: 30 mg/ml; DMSO: 30 mg/ml
form  A crystalline solid
pka 11.44±0.70(Predicted)
color  White to off-white
InChI 1S/C16H15FN2O4/c1-2-11-3-6-13(7-4-11)23-10-16(20)18-12-5-8-14(17)15(9-12)19(21)22/h3-9H,2,10H2,1H3,(H,18,20)
InChIKey YSZJLXPXVFGTNK-UHFFFAOYSA-N
SMILES CCC1=CC=C(OCC(NC2=CC([N+]([O-])=O)=C(F)C=C2)=O)C=C1

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
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

Hazard Information

Supplier