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| CAS No.: | 2817-71-2 |
|---|---|
| Name: | 1-Ethylpyrazole |
| Article Data: | 13 |
| Molecular Structure: | |
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| Formula: | C5H8N2 |
| Molecular Weight: | 96.1319 |
| Synonyms: | Pyrazole,1-ethyl- (6CI,7CI,8CI);1-Ethylpyrazole;N-Ethylpyrazole;1-Ethyl-1H-pyrazole; |
| EINECS: | 808-102-4 |
| Density: | 0.975 g/cm3 |
| Melting Point: | 82.75°C (estimate) |
| Boiling Point: | 140.234 °C at 760 mmHg |
| Flash Point: | 38.612 °C |
| PSA: | 17.82000 |
| LogP: | 0.90300 |
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Specification
The IUPAC name of 1-Ethylpyrazole is 1-ethylpyrazole. With the CAS registry number 2817-71-2, it is also named as 1H-Pyrazole, 1-ethyl-. The product's categories are Pyrazoles & Triazoles; Pyrazoles & Triazoles. In addition, its molecular formula is C5H8N2 and molecular weight is 96.13.
The other characteristics of 1-Ethylpyrazole can be summarized as: (1)ACD/LogP: 0.70; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 17.82 Å2; (7)Index of Refraction: 1.517; (8)Molar Refractivity: 29.85 cm3; (9)Molar Volume: 98.6 cm3; (10)Polarizability: 11.83×10-24cm3; (11)Surface Tension: 34.4 dyne/cm; (12)Density: 0.97 g/cm3; (13)Flash Point: 38.6 °C; (14)Enthalpy of Vaporization: 36.19 kJ/mol; (15)Boiling Point: 140.2 °C at 760 mmHg; (16)Vapour Pressure: 7.73 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: n1cccn1CC
(2)InChI: InChI=1/C5H8N2/c1-2-7-5-3-4-6-7/h3-5H,2H2,1H3
(3)InChIKey: FLNMQGISZVYIIK-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C5H8N2/c1-2-7-5-3-4-6-7/h3-5H,2H2,1H3
(5)Std. InChIKey: FLNMQGISZVYIIK-UHFFFAOYSA-N