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| CAS No.: | 16681-78-0 |
|---|---|
| Name: | 2H-Tetrazole, 2-methyl- |
| Article Data: | 13 |
| Molecular Structure: | |
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| Formula: | C2H4N4 |
| Molecular Weight: | 84.08 |
| Synonyms: | 2-Methyl-2H-tetrazole;2-Methyltetrazole;N-Methyl-2H-tetrazole; |
| Density: | 1.4 g/cm3 |
| Boiling Point: | 171.3 °C at 760 mmHg |
| Flash Point: | 57.4 °C |
| PSA: | 43.60000 |
| LogP: | -0.78990 |
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Specification
The 2H-Tetrazole,2-methyl- is an organic compound with the formula C2H4N4. The IUPAC name of this chemical is 2-methyltetrazole. With the CAS registry number 16681-78-0, it is also named as 2-Methyl-2H-tetrazole.
Physical properties about 2H-Tetrazole,2-methyl- are: (1)ACD/LogP: 0.07; (2)ACD/LogD (pH 5.5): 0.07; (3)ACD/LogD (pH 7.4): 0.07; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 25.91; (7)ACD/KOC (pH 7.4): 25.91; (8)#H bond acceptors: 4; (9)Polar Surface Area: 43.6 Å2; (10)Index of Refraction: 1.664; (11)Molar Refractivity: 22.14 cm3; (12)Molar Volume: 59.6 cm3; (13)Polarizability: 8.77×10-24cm3; (14)Surface Tension: 55.3 dyne/cm; (15)Density: 1.4 g/cm3; (16)Flash Point: 57.4 °C; (17)Enthalpy of Vaporization: 40.77 kJ/mol; (18)Boiling Point: 171.3 °C at 760 mmHg; (19)Vapour Pressure: 1.41 mmHg at 25°C.
Preparation: this chemical can be prepared by 1H-tetrazole and iodomethane. This reaction will need reagent NaOH and solvent H2O, cetone. The reaction time is 3 hours by heating.
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Uses of 2H-Tetrazole,2-methyl-: it can be used to produce 1-tert-butyl-3-methyl-3H-tetrazol-1-ium; perchlorate at temperature of 20 °C. It will need reagent aq. HClO4 with reaction time of 48 hours. The yield is about 95%.
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You can still convert the following datas into molecular structure:
(1)SMILES: n1cnnn1C
(2)InChI: InChI=1/C2H4N4/c1-6-4-2-3-5-6/h2H,1H3
(3)InChIKey: VRESBNUEIKZECD-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C2H4N4/c1-6-4-2-3-5-6/h2H,1H3
(5)Std. InChIKey: VRESBNUEIKZECD-UHFFFAOYSA-N