1203494-49-8

Name DASA-58
CAS 1203494-49-8
Molecular Formula C19H23N3O6S2
MDL Number MFCD29472280
Molecular Weight 453.53
MOL File 1203494-49-8.mol
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Chemical Properties

Boiling point  681.5±65.0 °C(Predicted)
density  1.453±0.06 g/cm3(Predicted)
storage temp.  Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
solubility  insoluble in EtOH; insoluble in H2O; ≥127.2 mg/mL in DMSO
form  solid
pka 3.35±0.10(Predicted)
color  White to off-white
InChI 1S/C19H23N3O6S2/c20-15-3-1-4-16(13-15)29(23,24)21-7-2-8-22(10-9-21)30(25,26)17-5-6-18-19(14-17)28-12-11-27-18/h1,3-6,13-14H,2,7-12,20H2
InChIKey GMHIOMMKSMSRLY-UHFFFAOYSA-N
SMILES NC1=CC=CC(S(N2CCN(S(C3=CC=C(OCCO4)C4=C3)(=O)=O)CCC2)(=O)=O)=C1

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302
Precautionary statements  P280-P305+P351+P338
WGK Germany  WGK 3
Storage Class 11 - Combustible Solids

Hazard Information

Spectrum Detail

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