27470-51-5

Name 4-BUTYL-4-[HYDROXYMETHYL]-1,2-DIPHENYL-3,5-PYRAZOLIDINEDIONE HYDROGEN SUCCINATE [ESTER]
CAS 27470-51-5
EINECS(EC#) 248-477-6
Molecular Formula C24H26N2O6
MDL Number MFCD00079562
Molecular Weight 438.47
MOL File 27470-51-5.mol

Chemical Properties

Appearance White or almost white, crystalline powder.
Melting point  126-127°
Boiling point  550.33°C (rough estimate)
density  1.2847 (rough estimate)
refractive index  1.6300 (estimate)
storage temp.  2-8°C
solubility  Practically insoluble in water, freely soluble in acetone, soluble in ethanol (96 per cent), practically insoluble in cyclohexane.
form  neat
pka 4.33±0.17(Predicted)
color  White to Off-White
Major Application pharmaceutical (small molecule)
InChI 1S/C24H26N2O6/c1-2-3-16-24(17-32-21(29)15-14-20(27)28)22(30)25(18-10-6-4-7-11-18)26(23(24)31)19-12-8-5-9-13-19/h4-13H,2-3,14-17H2,1H3,(H,27,28)
InChIKey ONWXNHPOAGOMTG-UHFFFAOYSA-N
SMILES CCCCC1(COC(=O)CCC(O)=O)C(=O)N(N(C1=O)c2ccccc2)c3ccccc3
CAS DataBase Reference 27470-51-5

Safety Data

Hazard Codes  Xn
Risk Statements 
Safety Statements 
WGK Germany  3
RTECS  WM9640000
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Toxicity
LD50 orally in mice: 5.683 micromol/kg (Esteve, 1973)

Hazard Information

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