179162-55-1

Name 4-(5-(4-(pentyloxy)phenyl)isoxazol-3-yl)benzoic acid
CAS 179162-55-1
Molecular Formula C21H21NO4
MDL Number MFCD20267356
Molecular Weight 351.396
MOL File 179162-55-1.mol
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Chemical Properties

Melting point  271-273oC
Boiling point  555.6±50.0 °C(Predicted)
density  1.176±0.06 g/cm3(Predicted)
storage temp.  Sealed in dry,Room Temperature
solubility  Acetone (Slightly, Heated), DMSO (Slightly)
form  Solid
pka 3.72±0.10(Predicted)
color  White
InChI InChI=1S/C21H21NO4/c1-2-3-4-13-25-18-11-9-16(10-12-18)20-14-19(22-26-20)15-5-7-17(8-6-15)21(23)24/h5-12,14H,2-4,13H2,1H3,(H,23,24)
InChIKey PDTXSIGPZDVVIX-UHFFFAOYSA-N
SMILES C(O)(=O)C1=CC=C(C2C=C(C3=CC=C(OCCCCC)C=C3)ON=2)C=C1

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302+H312+H332-H315-H319-H335
Precautionary statements  P261-P271-P280
HS Code  2934999090

Hazard Information

Spectrum Detail

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