108446-80-6

Name 3-(4-BROMOPHENYL)-1-PHENYLPYRAZOLE-4-PROPIONIC ACID
CAS 108446-80-6
Molecular Formula C18H15BrN2O2
MDL Number MFCD07784415
Molecular Weight 371.23
MOL File 108446-80-6.mol
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Chemical Properties

Melting point  156-161 °C
Boiling point  548.4±45.0 °C(Predicted)
density  1.43±0.1 g/cm3(Predicted)
form  solid
pka 4.44±0.10(Predicted)
InChI 1S/C18H15BrN2O2/c19-15-9-6-13(7-10-15)18-14(8-11-17(22)23)12-21(20-18)16-4-2-1-3-5-16/h1-7,9-10,12H,8,11H2,(H,22,23)
InChIKey XQKUUAKMGDILQK-UHFFFAOYSA-N
SMILES OC(=O)CCc1cn(nc1-c2ccc(Br)cc2)-c3ccccc3

Safety Data

WGK Germany  3
Storage Class 13 - Non Combustible Solids
Hazard Classifications Aquatic Chronic 4

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