4-(3-Methyl-5-oxo-2-pyrazolin-1-yl)benzoic acid Structure

4-(3-Methyl-5-oxo-2-pyrazolin-1-yl)benzoic acid

Chemical Properties

Melting point 285 °C (dec.) (lit.)
Boiling point 358.89°C (rough estimate)
Density  1.2699 (rough estimate)
refractive index  1.5300 (estimate)
storage temp.  Refrigerator
solubility  DMSO (Slightly, Heated), Methanol (Slightly)
form  Solid
pka 4.31±0.10(Predicted)
color  Pale Yellow to Yellow
InChI 1S/C11H10N2O3/c1-7-6-10(14)13(12-7)9-4-2-8(3-5-9)11(15)16/h2-5H,6H2,1H3,(H,15,16)
InChIKey CUGBBQWDGCXWNB-UHFFFAOYSA-N
SMILES CC1=NN(C(=O)C1)c2ccc(cc2)C(O)=O
CAS DataBase Reference 60875-16-3(CAS DataBase Reference)
FDA UNII I29T029IWB
EPA Substance Registry System Benzoic acid, 4-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)- (60875-16-3)
UNSPSC Code 12352100
NACRES NA.22

Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H302
Precautionary statements P280-P305+P351+P338
Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  24/25
WGK Germany  3
TSCA  TSCA listed
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral
NFPA 704:
0
2 0

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