1420071-30-2

Name 1H-Isoindole-1,3(2H)-dione, 5-[5-[[3-(4-broMophenyl)-2-iMino-4-oxo-5-thiazolidinylidene]Methyl]-2-furanyl]-
CAS 1420071-30-2
Molecular Formula C22H12BrN3O4S
MDL Number MFCD28118988
Molecular Weight 494.32
MOL File 1420071-30-2.mol

Chemical Properties

density  1.75±0.1 g/cm3(Predicted)
storage temp.  2-8°C
solubility  DMSO: soluble2mg/mL, clear (warmed)
form  powder
pka 9.62±0.20(Predicted)
color  orange to dark orange red
InChI 1S/C22H12BrN3O4S/c23-12-2-4-13(5-3-12)26-21(29)18(31-22(26)24)10-14-6-8-17(30-14)11-1-7-15-16(9-11)20(28)25-19(15)27/h1-10,24H,(H,25,27,28)/b18-10-,24-22?
InChIKey ULBOWKXOFOTCMU-NLDKGBHCSA-N
SMILES S1\C(=C/c3[o]c(cc3)c4cc5c(cc4)C(=O)NC5=O)\C(=O)N(C1=N)c2ccc(cc2)Br

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302-H317
Precautionary statements  P280
Hazard Codes  Xn
Risk Statements 
WGK Germany  3
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral

Hazard Information

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