40704-11-8

Name 3-METHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID
CAS 40704-11-8
Molecular Formula C5H6N2O2
MDL Number MFCD00608153
Molecular Weight 126.11
MOL File 40704-11-8.mol
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Chemical Properties

Melting point  225-230 °C (dec.) (lit.)
Boiling point  384.2±22.0 °C(Predicted)
density  1.404±0.06 g/cm3(Predicted)
storage temp.  2-8°C(protect from light)
form  solid
pka 14.56±0.50(Predicted)
Appearance Light yellow to brown Solid
InChI InChI=1S/C5H6N2O2/c1-3-4(5(8)9)2-6-7-3/h2H,1H3,(H,6,7)(H,8,9)
InChIKey HLYYXPDTFLUERX-UHFFFAOYSA-N
SMILES N1C=C(C(O)=O)C(C)=N1
CAS DataBase Reference 40704-11-8(CAS DataBase Reference)

Safety Data

Hazard Codes  Xi
WGK Germany  3
HazardClass  IRRITANT
HS Code  2933199090
Storage Class 11 - Combustible Solids

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