3951-95-9

Name 4-BROMO-1(2H)-ISOQUINOLONE
CAS 3951-95-9
EINECS(EC#) 622-004-7
Molecular Formula C9H6BrNO
MDL Number MFCD08437036
Molecular Weight 224.05
MOL File 3951-95-9.mol

Chemical Properties

Melting point  248-249 °C (decomp)(Solv: acetic acid (64-19-7); water (7732-18-5))
Boiling point  408.0±45.0 °C(Predicted)
density  1.666±0.06 g/cm3(Predicted)
storage temp.  Sealed in dry,Room Temperature
form  solid
pka 11.91±0.40(Predicted)
Appearance White to light brown Solid
InChI 1S/C9H6BrNO/c10-8-5-11-9(12)7-4-2-1-3-6(7)8/h1-5H,(H,11,12)
InChIKey ZOPUFLIYIMVOGZ-UHFFFAOYSA-N
SMILES BrC1=CNC(=O)c2ccccc12

Safety Data

Hazard Codes  Xi
Risk Statements 
Safety Statements 
WGK Germany  3
HS Code  2933499090
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2

Hazard Information

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