| Identification | |
| Name: | 1H-Imidazole-1-acetonitrile |
| Synonyms: | 1-Imidazolylacetonitrile; |
| CAS: | 98873-55-3 |
| Molecular Formula: | C5H5N3 |
| Molecular Weight: | 107.1133 |
| InChI: | InChI=1/C5H5N3/c6-1-3-8-4-2-7-5-8/h2,4-5H,3H2 |
| Molecular Structure: |  |
| Properties | |
| Density: | 1.111 g/cm3 |
| Refractive index: | 1.577 |
| Specification: |
The 1-(Cyanomethyl)imidazole is an organic compound with the formula C5H5N3. The systematic name of this chemical is 1H-imidazol-1-ylacetonitrile. With the CAS registry number 98873-55-3, it is also named as Imidazol-1-yl-acetonitrile. In addition, this chemical can be used as intermediate in organic syntheses. The other characteristics of 1-(Cyanomethyl)imidazole can be summarized as: (1)ACD/LogP: -0.35; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1 ; (6)Polar Surface Area: 41.61 Å2; (7)Index of Refraction: 1.577; (8)Molar Refractivity: 31.96 cm3; (9)Molar Volume: 96.428 cm3; (10)Polarizability: 12.67×10-24 cm3; (11)Surface Tension: 47.866 dyne/cm; (12)Density: 1.111 g/cm3; (13)Flash Point: 153.192 °C; (14)Enthalpy of Vaporization: 57.22 kJ/mol; (15)Boiling Point: 329.691 °C at 760 mmHg; (16)Vapour Pressure: 0 mmHg at 25°C. People can use the following data to convert to the molecule structure. |
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