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Daltroban Structure

Daltroban

Chemical Properties

Melting point 132.5-137.4 °C(lit.)
Boiling point 555.3±60.0 °C(Predicted)
Density  1.378±0.06 g/cm3(Predicted)
storage temp.  Store at -20°C
solubility  DMSO: 22 mg/mL, soluble
form  A solid
pka 4.33±0.10(Predicted)
color  white
InChI InChI=1S/C16H16ClNO4S/c17-14-5-7-15(8-6-14)23(21,22)18-10-9-12-1-3-13(4-2-12)11-16(19)20/h1-8,18H,9-11H2,(H,19,20)
InChIKey IULOBWFWYDMECP-UHFFFAOYSA-N
SMILES C1(CC(O)=O)=CC=C(CCNS(C2=CC=C(Cl)C=C2)(=O)=O)C=C1
CAS DataBase Reference 79094-20-5(CAS DataBase Reference)
FDA UNII S25VDY08ZC

Safety

Symbol(GHS)
Signal wordWarning
Hazard statements H315-H319-H335
Precautionary statements P261-P264-P271-P280-P302+P352-P305+P351+P338
Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  26-36/37
WGK Germany  3
NFPA 704:
0
2 0

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