5398-69-6

Name 2-iodo-3-nitro-benzoic acid
CAS 5398-69-6
Molecular Formula C7H4INO4
MDL Number MFCD00277941
Molecular Weight 293.02
MOL File 5398-69-6.mol
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Chemical Properties

Melting point  207-212°C
Boiling point  385.6±37.0 °C(Predicted)
density  2.156±0.06 g/cm3(Predicted)
storage temp.  under inert gas (nitrogen or Argon) at 2–8 °C
form  solid
pka 1.86±0.20(Predicted)
color  Light yellow
InChI InChI=1S/C7H4INO4/c8-6-4(7(10)11)2-1-3-5(6)9(12)13/h1-3H,(H,10,11)
InChIKey XWOGTRRVKVPJSP-UHFFFAOYSA-N
SMILES C(O)(=O)C1=CC=CC([N+]([O-])=O)=C1I

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P261-P305+P351+P338
Hazard Codes  Xn
Risk Statements 
WGK Germany  3
HS Code  2916399090
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral

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