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4-Benzoyl-3-methyl-1-phenyl-5-pyrazolinone Structure

4-Benzoyl-3-methyl-1-phenyl-5-pyrazolinone

  • Product Name4-Benzoyl-3-methyl-1-phenyl-5-pyrazolinone
  • CAS4551-69-3
  • CBNumberCB4346872
  • MFC17H14N2O2
  • MW278.31
  • EINECS224-918-8
  • MDL NumberMFCD00003136
  • MOL File4551-69-3.mol

Chemical Properties

Melting point: 90-92 °C(lit.)
Boiling point: 421.12°C (rough estimate)
Density  1.21
refractive index  1.5500 (estimate)
storage temp.  Storage temp. 2-8°C
pka 3.91±0.70(Predicted)
form  powder to crystal
color  White to Almost white
BRN  888605
InChI InChI=1S/C17H14N2O2/c1-12-15(16(20)13-8-4-2-5-9-13)17(21)19(18-12)14-10-6-3-7-11-14/h2-11,15H,1H3
InChIKey JDOLPAMOKSAEMD-UHFFFAOYSA-N
SMILES N1=C(C)C(C(=O)C2=CC=CC=C2)C(=O)N1C1=CC=CC=C1
CAS DataBase Reference 4551-69-3(CAS DataBase Reference)

Safety

Symbol(GHS)  Exclamation Mark (GHS07)
Signal word  Warning
Hazard statements  H302
Precautionary statements  P264-P270-P330-P501
Safety Statements  24/25
WGK Germany  3
HS Code  2933199090
NFPA 704:
1
0 0

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