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| CAS No.: | 16681-65-5 |
|---|---|
| Name: | 1-Methyl-1,2,3-triazole |
| Article Data: | 27 |
| Molecular Structure: | |
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| Formula: | C3H5N3 |
| Molecular Weight: | 83.0928 |
| Synonyms: | 1-Methyl-1,2,3-triazole;1-Methyl-1H-1,2,3-triazole;1-Methyl-1H-v-triazole; |
| Density: | 1.17g/cm3 |
| Boiling Point: | 149.7 °C at 760 mmHg |
| Flash Point: | 44.4 °C |
| PSA: | 30.71000 |
| LogP: | -0.18490 |
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Specification
The cas register number of 1-Methyl-1,2,3-triazole is 16681-65-5. It also can be called as 1-Methyl-1H-1,2,3-triazole and the Systematic name about this chemical is 1-methyltriazole.
Physical properties about 1-Methyl-1,2,3-triazole are: (1)ACD/LogP: -0.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.39; (4)ACD/LogD (pH 7.4): -0.39; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 14.66; (8)ACD/KOC (pH 7.4): 14.66; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 30.71Å2; (13)Index of Refraction: 1.581; (14)Molar Refractivity: 23.69 cm3; (15)Molar Volume: 71 cm3; (16)Surface Tension: 42.6 dyne/cm; (17)Density: 1.17 g/cm3; (18)Flash Point: 44.4 °C; (19)Enthalpy of Vaporization: 38.66 kJ/mol; (20)Boiling Point: 149.7 °C at 760 mmHg; (21)Vapour Pressure: 3.97 mmHg at 25°C.
Uses of 1-Methyl-1,2,3-triazole: It reacts with benzo[1,3]dioxole-5-carbaldehyde to get benzo[1,3]dioxol-5-yl-(3-methyl-3H-[1,2,3]triazol-4-yl)-methanol. This reaction needs solvent hexane and tetrahydrofuran. The yield is 63.9 %.
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People can use the following data to convert to the molecule structure.
1.SMILES: n1nn(cc1)C
2.InChI: InChI=1/C3H5N3/c1-6-3-2-4-5-6/h2-3H,1H3
3.InChIKey: JWAWEQBUZOGIBZ-UHFFFAOYAS
4.Std. InChI: InChI=1S/C3H5N3/c1-6-3-2-4-5-6/h2-3H,1H3