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79094-20-5

Name Daltroban
CAS 79094-20-5
Molecular Formula C16H16ClNO4S
MDL Number MFCD00868295
Molecular Weight 353.82
MOL File 79094-20-5.mol
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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)

Safety Data

Hazard Codes  Xi
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37:Wear suitable protective clothing and gloves .
WGK Germany  3

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