1,3-Diiminoisoindoline Structure

1,3-Diiminoisoindoline

Chemical Properties

Melting point ~197 °C (dec.)(lit.)
Boiling point 240.0±23.0 °C(Predicted)
Density  1.41±0.1 g/cm3(Predicted)
solubility  soluble in Methanol
form  powder to crystal
pka 6.83±0.20(Predicted)
color  Light yellow to Yellow to Green
InChI InChI=1S/C8H7N3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4H,(H3,9,10,11)
InChIKey RZVCEPSDYHAHLX-UHFFFAOYSA-N
SMILES C1(=N)C2=C(C=CC=C2)C(=N)N1
CAS DataBase Reference 57500-34-2(CAS DataBase Reference)

Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H315-H319
Precautionary statements P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Hazard Codes  T
Risk Statements  36/37/38
Safety Statements  26-36
WGK Germany  3
RTECS  NR3500000
F  3-9-34
HS Code  2933.99.8290
NFPA 704:
0
3 0

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