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| | 4-Amino-4H-1,2,4-triazole Basic information |
| Product Name: | 4-Amino-4H-1,2,4-triazole | | Synonyms: | 4-AMINO-1,2,4-TRIAZOLE FOR SYNTHESIS;METHYL P-BROMOPHENYL KETONE;4-AMINO-4H-1,2,4-TRIAZOLE;4-AMino-1;1-Amino-1H-1,3,4-triazole;4H-1,2,4-Triazole, 4-amino- (8CI);ATC (VAN);Weedazol (TM) | | CAS: | 584-13-4 | | MF: | C2H4N4 | | MW: | 84.08 | | EINECS: | 209-533-5 | | Product Categories: | Amination;Heterocyclic Compounds;Heterocycles;Building Blocks;Chemical Synthesis;Heterocyclic Building Blocks;Triazoles;Synthetic Organic Chemistry;bc0001;584-13-4 | | Mol File: | 584-13-4.mol |  |
| | 4-Amino-4H-1,2,4-triazole Chemical Properties |
| Melting point | 84-86 °C(lit.) | | Boiling point | 255 °C(lit.) | | density | 1.59±0.1 g/cm3(Predicted) | | refractive index | 1.7390 (estimate) | | Fp | >230 °F | | storage temp. | Store below +30°C. | | solubility | methanol: 0.1 g/mL, clear | | form | Crystalline Powder | | pka | 3.20±0.10(Predicted) | | color | White to off-white or beige | | PH | <7 (H2O, 20℃) | | Water Solubility | 810 g/L (20 ºC) | | BRN | 107563 | | InChI | 1S/C2H4N4/c3-6-1-4-5-2-6/h1-2H,3H2 | | InChIKey | FMCUPJKTGNBGEC-UHFFFAOYSA-N | | SMILES | Nn1cnnc1 | | CAS DataBase Reference | 584-13-4(CAS DataBase Reference) | | EPA Substance Registry System | 4-Amino-1,2,4-triazole (584-13-4) |
| Hazard Codes | Xn,Xi | | Risk Statements | 36/37/38-42/43 | | Safety Statements | 26-36 | | WGK Germany | 3 | | RTECS | XZ3850200 | | F | 8 | | Hazard Note | Irritant | | HS Code | 2933 99 80 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| | 4-Amino-4H-1,2,4-triazole Usage And Synthesis |
| Chemical Properties | white to off-white or beige crystalline powder | | Uses | 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.] |
| | 4-Amino-4H-1,2,4-triazole Preparation Products And Raw materials |
| Raw materials | Ethanol-->Formylhydrazine | | Preparation Products | 4-(4-BROMOPHENYL)-3-PYRIDINECARBOXALDEHYDE-->1-(4-Nitrophenyl)methyl-1,2,4-triazole-->4-Amino-1,2,4-triazolehydrochloride-->6,8-DIMETHYL[1,2,4]TRIAZOLO[4,3-B]PYRIDAZINE-->6-METHYL[1,2,4]TRIAZOLO[4,3-B]PYRIDAZIN-8-OL-->2-Chloro-N-[1,2,4]triazol-4-yl-acetaMide, 98+% C4H5ClN4O, MW: 160.56-->N-(4-CHLOROPHENYL)-N'-(4H-1,2,4-TRIAZOL-4-YL)THIOUREA |
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