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5-methyl-1H-pyrazole

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Name

5-methyl-1H-pyrazole

EINECS N/A
CAS No. 88054-14-2 Density 1.062 g/cm3
PSA 28.68000 LogP 0.71810
Solubility N/A Melting Point N/A
Formula C4H6N2 Boiling Point 195.7 °C at 760 mmHg
Molecular Weight 82.105 Flash Point 87.4 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 88054-14-2 (1H-Pyrazole,5-methyl-) Hazard Symbols N/A
Synonyms

1H-Pyrazole,5-methyl-

Article Data 1

5-methyl-1H-pyrazole 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 %.

The 5-methyl-1H-pyrazole could react with 1,1,1,3,3,3-hexamethyl-disilazane, and obtain the 1-(Trimethylsilyl)-3-methyl-pyrazol

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

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