| Identification | Back Directory | [Name]
4-Methyl-4H-1,2,4-triazole | [CAS]
10570-40-8 | [Synonyms]
4-Methyl-1,2,4-triazole
4-Methyl-4H-1,2,4-triazole
4H-1,2,4-Triazole, 4-methyl- | [Molecular Formula]
C3H5N3 | [MDL Number]
MFCD00490021 | [MOL File]
10570-40-8.mol | [Molecular Weight]
83.09 |
| Chemical Properties | Back Directory | [Melting point ]
90-92℃ | [Boiling point ]
175℃ | [density ]
1.17 | [Fp ]
60℃ | [storage temp. ]
Sealed in dry,2-8°C | [pka]
3.13±0.10(Predicted) | [Appearance]
White to off-white Solid | [InChI]
InChI=1S/C3H5N3/c1-6-2-4-5-3-6/h2-3H,1H3 | [InChIKey]
XILPCSMEKCBYFO-UHFFFAOYSA-N | [SMILES]
N1=CN(C)C=N1 |
| Hazard Information | Back Directory | [Synthesis]
Step 1. 250 mmol of dimethyl carbonate was slowly added to a mixture containing 50 mmol of 1,2,4-triazole and 12.5 mmol of sodium carbonate under nitrogen protection to form a suspension. Subsequently, the reaction system was heated to 120 °C and refluxed with stirring at this temperature for 16 hours. After completion of the reaction, the volatile components were removed under reduced pressure. The residue was washed with chloroform and filtered to remove insoluble impurities. The filtrate was concentrated by rotary evaporation to give 4.74 g of 4-methyl-1,2,4-triazole as a colorless liquid. | [References]
[1] Patent: CN108250227, 2018, A. Location in patent: Paragraph 0025; 0028 |
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