4-Amino-4H-1,2,4-triazole
Synonym(s):4H-1,2,4-Triazol-4-amine;4-Amino-1,2,4-triazole;4-Amino-4H-1,2,4-triazole
- CAS NO.：584-13-4
- Empirical Formula: C2H4N4
- Molecular Weight: 84.08
- MDL number: MFCD00003099
- EINECS: 209-533-5
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-11-05 11:59:05
What is 4-Amino-4H-1,2,4-triazole?
Chemical properties
white to off-white or beige crystalline powder
The Uses of 4-Amino-4H-1,2,4-triazole
1,2,4-Triazol-4-amine is an intermediate used to prepare potent, selective, and orally active cyclooxygenase-?2 inhibitors. It is also used to synthesize hydroxyphenacyl azoles and related azolium derivatives as antifungal agents.
Purification Methods
It crystallises from EtOH/ Et2O or H2O. The hydrochloride has m 151-152o (from EtOH, 1g/10mL). [Allen & Bell Org Synth Coll Vol III 96 1955, Barszez et al. J Chem Soc, Dalton Trans 2025 1986, Beilstein 26 H 16, 26 II 7, 26 III/IV 40, Temple & Montgomery 1,2,4-Triazoles —The Chemistry of Heterocyclic Compounds Vol 37 (Weissberger & Taylor eds.). Wiley & Sons NY 1981, ISBN 0-471-0656-6.]
Properties of 4-Amino-4H-1,2,4-triazole
| Melting point: | 84-86 °C(lit.) |
| Boiling point: | 255 °C(lit.) |
| Density | 1.59±0.1 g/cm3(Predicted) |
| refractive index | 1.7390 (estimate) |
| Flash point: | >230 °F |
| storage temp. | Store below +30°C. |
| solubility | methanol: 0.1 g/mL, clear |
| pka | 3.20±0.10(Predicted) |
| form | Crystalline Powder |
| color | White to off-white or beige |
| PH | <7 (H2O, 20℃) |
| Water Solubility | 810 g/L (20 ºC) |
| BRN | 107563 |
| CAS DataBase Reference | 584-13-4(CAS DataBase Reference) |
| EPA Substance Registry System | 4-Amino-1,2,4-triazole (584-13-4) |
Safety information for 4-Amino-4H-1,2,4-triazole
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P271:Use only outdoors or in a well-ventilated area. 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. |
Computed Descriptors for 4-Amino-4H-1,2,4-triazole
| InChIKey | FMCUPJKTGNBGEC-UHFFFAOYSA-N |
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