749872-43-3

Name CID 5951923
CAS 749872-43-3
Molecular Formula C16H18N2O7S
MDL Number MFCD04796932
Molecular Weight 382.39
MOL File 749872-43-3.mol

Chemical Properties

Boiling point  646.9±55.0 °C(Predicted)
density  1.43±0.1 g/cm3(Predicted)
storage temp.  Sealed in dry,Room Temperature
solubility  DMSO: soluble10mg/mL (clear solution)
form  powder
pka -1.40±0.20(Predicted)
color  white to beige
InChI 1S/C16H18N2O7S/c1-17(14-7-8-26(23,24)11-14)15(19)10-25-16(20)6-5-12-3-2-4-13(9-12)18(21)22/h2-6,9,14H,7-8,10-11H2,1H3/b6-5+
InChIKey URVRJYLSUVXWBC-AATRIKPKSA-N
SMILES O=C(OCC(N(C)C1CS(CC1)(=O)=O)=O)/C=C/C2=CC=CC([N+]([O-])=O)=C2

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P261-P305+P351+P338
WGK Germany  3
Storage Class 11 - Combustible Solids

Hazard Information

Supplier