Isocarbostyril Structure

Isocarbostyril

Chemical Properties

Melting point 212-216 °C
Boiling point 376.3±35.0 °C(Predicted)
Density  1.188±0.06 g/cm3(Predicted)
storage temp.  Inert atmosphere,Room Temperature
solubility  DMSO (Slightly, Heated), Methanol (Slightly)
pka 13.62±0.20(Predicted)
form  Powder or Crystalline Powder
color  White to pale brown
BRN  2954
InChI InChI=1S/C9H7NO/c11-9-8-4-2-1-3-7(8)5-6-10-9/h1-6H,(H,10,11)
InChIKey VDBNYAPERZTOOF-UHFFFAOYSA-N
SMILES C1(=O)C2=C(C=CC=C2)C=CN1
CAS DataBase Reference 491-30-5(CAS DataBase Reference)
FDA UNII 95EG3HGG1P
UNSPSC Code 12352100
NACRES NA.22

Safety

Symbol(GHS) GHS hazard pictograms
Signal wordWarning
Hazard statements H315-H319-H335
Precautionary statements P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Risk Statements  36/37/38
Safety Statements  22-24/25-37-26
WGK Germany  3
TSCA  N
HS Code  29334900
Storage Class 11 - Combustible Solids
NFPA 704:
1
0 0

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