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3-Amino-4-pyrazolecarbonitrile

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3-Amino-4-pyrazolecarbonitrile Basic information

Product Name:
3-Amino-4-pyrazolecarbonitrile
Synonyms:
  • Allopurinol Nitrile IMpurity
  • 3-Amino-1H-pyrazole-4-carbonitrile,98%
  • 3-Amino-4-Ccyanopyrazole
  • 3-Amino-4-Cyanopyrozale
  • Amino-1H-Pyrazole-4-Carbonitrile
  • Zaleplon intermediate
  • 3-AMINO-4-PYRAZOLOCARBONITRILE
  • 3-Amino-4-cyanopyrozole (intermediate of zaleplon)
CAS:
16617-46-2
MF:
C4H4N4
MW:
108.1
EINECS:
240-665-6
Product Categories:
  • VARIOUSAMINE
  • Amines
  • Pyrazole series
  • Heterocycles
  • BUILDING BLOCKS
  • Nitriles
  • Imidazoles, Pyrroles, Pyrazoles, Pyrrolidines
  • (intermediate of zaleplon)
  • Nucleotides and Nucleosides
  • Anilines, Amides & Amines
  • Miscellaneous Compounds
  • Intermediates of Zaleplon
  • Heterocyclic
  • Nucleotide
Mol File:
16617-46-2.mol
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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)
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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

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3-Amino-4-pyrazolecarbonitrile Usage And Synthesis

Description

The molecular structure of 3-Amino-4-pyrazolecarbonitrile contains a cyano structure and an active amino unit. Its solubility in water is low, but its solubility in alcoholic organic solvents is high. As an intermediate in organic synthesis and medicinal chemistry, 3-Amino-4-pyrazolecarbonitrile can synthesize drug molecules. For example, it can be used to synthesize the drug molecule zaleplon.

Chemical Properties

Tan Crystalline Solid

Uses

Building block used in the synthesis of a variety of heterocycles.

Uses

3-Amino-4-pyrazolecarbonitrile has been a useful synthetic intermediate.

3-Amino-4-pyrazolecarbonitrile Preparation Products And Raw materials

Preparation Products

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