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3-Amino-4-pyrazolecarbonitrile Structure

3-Amino-4-pyrazolecarbonitrile

Chemical Properties

Melting point 172-174 °C(lit.)
Boiling point 192.71°C (rough estimate)
Density  1.2722 (rough estimate)
refractive index  1.7380 (estimate)
storage temp.  Keep in dark place,Sealed in dry,Room Temperature
solubility  DMSO (Slightly), Methanol (Slightly)
form  Crystalline Powder
pka 11.58±0.50(Predicted)
color  Light yellow to brown-orange
BRN  2647
InChI InChI=1S/C4H4N4/c5-1-3-2-7-8-4(3)6/h2H,(H3,6,7,8)
InChIKey FFNKBQRKZRMYCL-UHFFFAOYSA-N
SMILES N1C=C(C#N)C(N)=N1
CAS DataBase Reference 16617-46-2(CAS DataBase Reference)
NIST Chemistry Reference 5-Amino-4-cyano-pyrazole(16617-46-2)
EPA Substance Registry System 1H-Pyrazole-4-carbonitrile, 3-amino- (16617-46-2)

Safety Information

Hazard Codes  Xn,T
Risk Statements  20/21/22-20/21-36/37/38
Safety Statements  22-24/25-23-36-26
RIDADR  3439
WGK Germany  3
10
TSCA  Yes
HazardClass  6.1
PackingGroup  III
HS Code  29331990

MSDS

Usage And Synthesis

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