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185252-69-1

Name 4-(3,5-DIMETHYL-1H-PYRAZOL-4-YL)-BENZOIC ACID
CAS 185252-69-1
Molecular Formula C12H12N2O2
MDL Number MFCD03425153
Molecular Weight 216.24
MOL File 185252-69-1.mol
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Chemical Properties

Melting point  126 °C
Boiling point  420.8±45.0 °C(Predicted)
density  1.262±0.06 g/cm3(Predicted)
pka 4.11±0.10(Predicted)
InChI InChI=1S/C12H12N2O2/c1-7-11(8(2)14-13-7)9-3-5-10(6-4-9)12(15)16/h3-6H,1-2H3,(H,13,14)(H,15,16)
InChIKey JYRIFOAFECWGHB-UHFFFAOYSA-N
SMILES C(O)(=O)C1=CC=C(C2=C(C)NN=C2C)C=C1

Safety Data

Symbol(GHS) 
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P261-P280-P301+P312-P302+P352-P305+P351+P338
HS Code  2916399090

Spectrum Detail

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