| Identification | |
| Name: | 1H-Pyrazole-3-aceticacid, ethyl ester |
| Synonyms: | (1H-Pyrazol-3-yl)aceticacid ethyl ester; Ethyl (1H-pyrazol-3-yl)acetate |
| CAS: | 82668-50-6 |
| Molecular Formula: | C7H10 N2 O2 |
| Molecular Weight: | 154.17 |
| InChI: | InChI=1/C7H10N2O2/c1-2-11-7(10)5-6-3-4-8-9-6/h3-4H,2,5H2,1H3,(H,8,9) |
| Molecular Structure: |  |
| Properties | |
| Density: | 1.183 g/cm3 |
| Refractive index: | 1.516 |
| Specification: |
The (1H-Pyrazol-3-yl)acetic acid ethyl ester, with the CAS registry number 82668-50-6, is also known as Ethyl 1H-pyrazol-3-ylacetate. This chemical's molecular formula is C7H10N2O2 and formula weight is 154.17. What's more, its systematic name is called 1H-pyrazole-3-acetic acid, ethyl ester. Physical properties of (1H-Pyrazol-3-yl)acetic acid ethyl ester: (1)ACD/LogP: 0.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.6; (4)ACD/LogD (pH 7.4): 0.6; (5)ACD/BCF (pH 5.5): 1.67; (6)ACD/BCF (pH 7.4): 1.67; (7)ACD/KOC (pH 5.5): 50.24; (8)ACD/KOC (pH 7.4): 50.28; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.516; (13)Molar Refractivity: 39.36 cm3; (14)Molar Volume: 130.2 cm3; (15)Surface Tension: 47.4 dyne/cm; (16)Density: 1.183 g/cm3; (17)Flash Point: 128.9 °C; (18)Enthalpy of Vaporization: 52.88 kJ/mol; (19)Boiling Point: 289.5 °C at 760 mmHg; (20)Vapour Pressure: 0.0022 mmHg at 25°C. You can still convert the following datas into molecular structure: |
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