1370554-01-0

Name Cilliobrevin D
CAS 1370554-01-0
Molecular Formula C17H8Cl3N3O2
MDL Number MFCD32671360
Molecular Weight 392.62
MOL File 1370554-01-0.mol
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Chemical Properties

Boiling point  591.8±50.0 °C(Predicted)
density  1.537±0.06 g/cm3(Predicted)
storage temp.  Store at -20°C
solubility  DMSO: 5 mg/mL (12.73 mM; ultrasonic and warming and heat to 80°C)
form  Solid
pka 5.99±0.20(Predicted)
color  Light yellow to yellow
InChI InChI=1S/C17H8Cl3N3O2/c18-8-1-3-10(13(20)5-8)15(24)12(7-21)16-22-14-6-9(19)2-4-11(14)17(25)23-16/h1-6,22H,(H,23,25)
InChIKey JKKSCGHDRHRWOQ-UHFFFAOYSA-N
SMILES C(=C1NC(=O)C2=CC=C(Cl)C=C2N1)(C#N)C(C1C=CC(Cl)=CC=1Cl)=O

Safety Data

WGK Germany  WGK 3
Storage Class 11 - Combustible Solids

Hazard Information

Spectrum Detail

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