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491-30-5

Name Isocarbostyril
CAS 491-30-5
EINECS(EC#) 207-732-1
Molecular Formula C9H7NO
MDL Number MFCD00006899
Molecular Weight 145.16
MOL File 491-30-5.mol
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Chemical Properties

Appearance Yellow Solid
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)
form  Powder or Crystalline Powder
pka 13.62±0.20(Predicted)
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)

Safety Data

Risk Statements 
Safety Statements 
S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
WGK Germany  3
TSCA  N
HS Code  29334900

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