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| CAS No.: | 88054-14-2 |
|---|---|
| Name: | 1H-Pyrazole,5-methyl- |
| Article Data: | 1 |
| Molecular Structure: | |
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| Formula: | C4H6N2 |
| Molecular Weight: | 82.105 |
| Synonyms: | 1H-Pyrazole,5-methyl- |
| Density: | 1.062 g/cm3 |
| Boiling Point: | 195.7 °C at 760 mmHg |
| Flash Point: | 87.4 °C |
| PSA: | 28.68000 |
| LogP: | 0.71810 |
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Specification
This chemical is called 5-methyl-1H-pyrazole, and it can also be named as 1H-Pyrazole,5-methyl-. With the molecular formula of C4H6N2, its molecular weight is 82.10. The CAS registry number of this chemical is 88054-14-2. Additionally, its product category is API Intermediates.
Other characteristics of the 5-methyl-1H-pyrazole can be summarised as followings: (1)ACD/LogP: 0.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.77; (4)ACD/LogD (pH 7.4): 0.78; (5)ACD/BCF (pH 5.5): 2.27; (6)ACD/BCF (pH 7.4): 2.29; (7)ACD/KOC (pH 5.5): 62.39; (8)ACD/KOC (pH 7.4): 63.07; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 17.82 Å2; (13)Index of Refraction: 1.523; (14)Molar Refractivity: 23.6 cm3; (15)Molar Volume: 77.2 cm3; (16)Polarizability: 9.35×10-24cm3; (17)Surface Tension: 43.7 dyne/cm; (18)Density: 1.062 g/cm3; (19)Flash Point: 87.4 °C; (20)Enthalpy of Vaporization: 41.43 kJ/mol; (21)Boiling Point: 195.7 °C at 760 mmHg; (22)Vapour Pressure: 0.579 mmHg at 25°C.
Uses of this chemical: The 5-methyl-1H-pyrazole could react with 1,1,1,3,3,3-hexamethyl-disilazane, and obtain the 1-(Trimethylsilyl)-3-methyl-pyrazol. This reaction needs the reagent of H2SO4. The yield is 94.4 %.
You can still convert the following datas into molecular structure:
1.SMILES: n1ccc(n1)C
2.InChI: InChI=1/C4H6N2/c1-4-2-3-5-6-4/h2-3H,1H3,(H,5,6)
3.InChIKey: XKVUYEYANWFIJX-UHFFFAOYAH