1104546-89-5

Name 4-[(1-Methyl-1H-pyrrol-2-yl)methylene]-1,3(2H,4H)-isoquinolinedione
CAS 1104546-89-5
Molecular Formula C15H12N2O2
MDL Number MFCD12912397
Molecular Weight 252.27
MOL File 1104546-89-5.mol
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Chemical Properties

Boiling point  492.5±45.0 °C(Predicted)
density  1.27±0.1 g/cm3(Predicted)
storage temp.  2-8°C
solubility  DMSO: >20mg/mL
form  powder
pka 9.30±0.20(Predicted)
color  yellow
InChI 1S/C15H12N2O2/c1-17-8-4-5-10(17)9-13-11-6-2-3-7-12(11)14(18)16-15(13)19/h2-9H,1H3,(H,16,18,19)/b13-9-
InChIKey BTYSIDSTHDDAJW-LCYFTJDESA-N
SMILES Cn1cccc1\C=C2/C(=O)NC(=O)c3ccccc23

Safety Data

Hazard Codes  Xi
Risk Statements 
Safety Statements 
WGK Germany  3
Storage Class 11 - Combustible Solids
Hazard Classifications Skin Sens. 1

Hazard Information

Spectrum Detail

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