235112-66-0

Name 1H-Benzo[d][1,2,3]triazol-1-yl 4-(5-(4-(pentyloxy)phenyl)isoxazol-3-yl)benzoate
CAS 235112-66-0
Molecular Formula C27H24N4O4
MDL Number MFCD20926231
Molecular Weight 468.5
MOL File 235112-66-0.mol
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Chemical Properties

Boiling point  669.2±65.0 °C(Predicted)
density  1.28±0.1 g/cm3(Predicted)
storage temp.  Storage temp. 2-8°C
pka -1.03±0.30(Predicted)
Appearance White to off-white Solid
InChI InChI=1S/C27H24N4O4/c1-2-3-6-17-33-22-15-13-20(14-16-22)26-18-24(29-34-26)19-9-11-21(12-10-19)27(32)35-31-25-8-5-4-7-23(25)28-30-31/h4-5,7-16,18H,2-3,6,17H2,1H3
InChIKey OVGDHNCIEZTWJS-UHFFFAOYSA-N
SMILES C(ON1C2=CC=CC=C2N=N1)(=O)C1=CC=C(C2C=C(C3=CC=C(OCCCCC)C=C3)ON=2)C=C1

Safety Data

Symbol(GHS)  Skull and Crossbones (GHS06)Exclamation Mark (GHS07)
GHS06,GHS07
Signal word  Danger
Hazard statements  H301-H315-H319-H335
Precautionary statements  P261-P264-P270-P271-P280-P301+P310-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362+P364-P403+P233-P405-P501

Hazard Information

Spectrum Detail

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