5-Nitroisoindoline-1,3-dione

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CAS NO.: 89-40-7 Catalog: IND866
Formula: C8H4N2O4 Purity: 97.00% +
Molecular Weight: 192.13 Pubchem CID: 6969
InChI Key: ANYWGXDASKQYAD-UHFFFAOYSA-N
Canonical SMILES: C1=CC2=C(C=C1[N+](=O)[O-])C(=O)NC2=O
Storage: Store in a cool, dry and well-ventilated area away from incompatible substances.
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Properties Information

Melting point:
206 °C
Boiling point:
328.09°C (rough estimate)
Density 
1.5513 (rough estimate)
refractive index 
1.4900 (estimate)
pka
7.79±0.20(Predicted)
color 
Yellow powder
Water Solubility 
<0.01 g/100 mL at 18 ºC
BRN 
180224
Stability:
Stable. Combustible. Incompatible with moisture, water, strong oxidising agents, strong bases.
InChIKey
ANYWGXDASKQYAD-UHFFFAOYSA-N

Safety Information

Symbol(GHS) 

GHS07
Signal word 
Warning
Hazard statements 
H315-H319-H335
Precautionary statements 
P280a-P304+P340-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P305+P351+P338
Hazard Codes 
Xi
Risk Statements 
36/37/38
Safety Statements 
37/39-26-36-24/25
WGK Germany 
3
RTECS 
TI5625000
Hazard Note 
Irritant
TSCA 
Yes
HS Code 
29251900
Toxicity
mmo-sat 333 mg/plate EMMUEG 11(Suppl 12),1,88