52549-17-4

Name Pranoprofen
CAS 52549-17-4
EINECS(EC#) 682-035-7
Molecular Formula C15H13NO3
MDL Number MFCD00866111
Molecular Weight 255.27
MOL File 52549-17-4.mol
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Chemical Properties

Melting point  182-183°
Boiling point  398.5°C (rough estimate)
density  1.1654 (rough estimate)
refractive index  1.5500 (estimate)
storage temp.  2-8°C
solubility  DMSO (Slightly), Methanol (Slightly)
form  powder
pka 4.27±0.10(Predicted)
color  white to beige
InChI InChI=1S/C15H13NO3/c1-9(15(17)18)10-4-5-13-12(7-10)8-11-3-2-6-16-14(11)19-13/h2-7,9H,8H2,1H3,(H,17,18)
InChIKey TVQZAMVBTVNYLA-UHFFFAOYSA-N
SMILES C(C1C=CC2OC3=NC=CC=C3CC=2C=1)(C)C(=O)O
CAS DataBase Reference 52549-17-4(CAS DataBase Reference)

Safety Data

Symbol(GHS)  Skull and Crossbones (GHS06)
GHS06
Signal word  Danger
Hazard statements  H301
Precautionary statements  P301+P310+P330
RIDADR  UN 2811 6.1 / PGIII
WGK Germany  WGK 1
RTECS  DJ3100950
Storage Class 6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
Hazard Classifications Acute Tox. 3 Oral
Toxicity
LD50 in male mice, rats (mg/kg): 447.3, 87.3 orally (Edanaga)

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