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4,5-Diaminophthalonitrile Structure

4,5-Diaminophthalonitrile

Chemical Properties

Melting point 264°C(lit.)
Boiling point 511.5±50.0 °C(Predicted)
Density  1.35±0.1 g/cm3(Predicted)
storage temp.  under inert gas (nitrogen or Argon) at 2–8 °C
form  powder to crystal
pka -0.22±0.10(Predicted)
color  White to Brown
λmax 325nm(CH3CN)(lit.)
InChI 1S/C8H6N4/c9-3-5-1-7(11)8(12)2-6(5)4-10/h1-2H,11-12H2
InChIKey PCKAZQYWUDIFQM-UHFFFAOYSA-N
SMILES Nc1cc(C#N)c(cc1N)C#N

Safety Information

Hazard Codes  T
Risk Statements  20/21-25-36/37/38
Safety Statements  26-36/37-45
RIDADR  3439
WGK Germany  3
HazardClass  6.1
PackingGroup 
HS Code  2926907090
Storage Class 6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
Hazard Classifications Acute Tox. 3 Oral
Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

Usage And Synthesis

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