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BENORILATE Structure

BENORILATE

Chemical Properties

Melting point 177-181℃
Boiling point 453.11°C (rough estimate)
Density  1.2016 (rough estimate)
refractive index  1.4500 (estimate)
storage temp.  Sealed in dry,Room Temperature
solubility  DMSO (Slightly), Methanol (Slightly)
pka 14.17±0.70(Predicted)
form  Solid
color  White
Water Solubility  20mg/L(21 ºC)
Merck  14,1045
InChI InChI=1S/C17H15NO5/c1-11(19)18-13-7-9-14(10-8-13)23-17(21)15-5-3-4-6-16(15)22-12(2)20/h3-10H,1-2H3,(H,18,19)
InChIKey FEJKLNWAOXSSNR-UHFFFAOYSA-N
SMILES C(OC1=CC=C(NC(C)=O)C=C1)(=O)C1=CC=CC=C1OC(C)=O
CAS DataBase Reference 5003-48-5(CAS DataBase Reference)

Safety Information

RTECS  VO0720000
HS Code  2924.29.7790
Toxicity LD50 in mice, rats (mg/ml): 2000, ~10000 orally; 1255, 1830 i.p. (Robertson)

Usage And Synthesis

Preparation Products And Raw materials

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