3-Amino-4-pyrazolecarbonitrile
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
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-01-21 11:48:53
What is 3-Amino-4-pyrazolecarbonitrile?
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
The Uses of 3-Amino-4-pyrazolecarbonitrile
3-Amino-4-pyrazolecarbonitrile has been a useful synthetic intermediate.
The Uses of 3-Amino-4-pyrazolecarbonitrile
Building block used in the synthesis of a variety of heterocycles.
Properties of 3-Amino-4-pyrazolecarbonitrile
| 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) |
| 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 for 3-Amino-4-pyrazolecarbonitrile
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation |
| Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P332+P313:IF SKIN irritation occurs: Get medical advice/attention. P337+P313:IF eye irritation persists: Get medical advice/attention. |
Computed Descriptors for 3-Amino-4-pyrazolecarbonitrile
| InChIKey | FFNKBQRKZRMYCL-UHFFFAOYSA-N |
| SMILES | N1C=C(C#N)C(N)=N1 |
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