| Identification | |
| Name: | 1H-Pyrazole-4-carbonitrile,1-(phenylmethyl)- |
| Synonyms: | 1-Benzyl-1H-pyrazole-4-carbonitrile; |
| CAS: | 121358-86-9 |
| Molecular Formula: | C11H9N3 |
| Molecular Weight: | 183.21 |
| InChI: | InChI=1/C11H9N3/c12-6-11-7-13-14(9-11)8-10-4-2-1-3-5-10/h1-5,7,9H,8H2 |
| Molecular Structure: |  |
| Properties | |
| Density: | 1.111 g/cm3 |
| Refractive index: | 1.609 |
| Specification: |
The 1-Benzyl-4-cyanopyrazole with the CAS number 121358-86-9 is also called 1H-Pyrazole-4-carbonitrile,1-(phenylmethyl)-. The IUPAC name is 1-benzylpyrazole-4-carbonitrile. Its molecular formula is C11H9N3. This chemical is a kind of organics. It should be stored in dry and cool environment. The properties of the 1-Benzyl-4-cyanopyrazole are: (1)ACD/LogP: 0.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 5; (6)ACD/BCF (pH 7.4): 5; (7)ACD/KOC (pH 5.5): 109; (8)ACD/KOC (pH 7.4): 109; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 41.61 Å2; (13)Index of Refraction: 1.609; (14)Molar Refractivity: 57.065 cm3; (15)Molar Volume: 164.901 cm3; (16)Polarizability: 22.622×10-24cm3; (17)Surface Tension: 46.453 dyne/cm; (18)Enthalpy of Vaporization: 61.604 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C. You can still convert the following datas into molecular structure: |
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