3-Aminopyrazole-4-carbonitrile , 99% , 16617-46-2

Synonym(s):
3-Amino-4-cyanopyrazole

CAS NO.：16617-46-2

Empirical Formula: C4H4N4

Molecular Weight: 108.1

MDL number: MFCD00005237

EINECS: 240-665-6

PRODUCT 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)
• pka: 11.58±0.50(Predicted)
• form: Crystalline Powder
• 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)

Description and Uses

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.

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

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H315-H319
• Precautionary statements: P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313
• 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
• F: 10
• TSCA: Yes
• HazardClass: 6.1
• PackingGroup: III
• HS Code: 29331990