2-ETHYLBENZONITRILE

The Benzonitrile, 2-ethyl- is an organic compound with the formula C₉H₉N. The IUPAC name of this chemical is 2-Ethylbenzonitrile. With the CAS registry number 34136-59-9, it is also named as Ethylbenzonitrile. The product's categories are C8 to C9; Cyanides/Nitriles; Nitrogen Compounds. Besides, it should be stored in a cool, lightproof place.

Physical properties about Benzonitrile, 2-ethyl- are: (1)ACD/LogP: 2.65; (2)ACD/LogD (pH 5.5): 2.65; (3)ACD/LogD (pH 7.4): 2.65; (4)ACD/BCF (pH 5.5): 60.43; (5)ACD/BCF (pH 7.4): 60.43; (6)ACD/KOC (pH 5.5): 655.59; (7)ACD/KOC (pH 7.4): 655.59; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 23.79 Å²; (11)Index of Refraction: 1.523; (12)Molar Refractivity: 40.57 cm³; (13)Molar Volume: 132.6 cm³; (14)Polarizability: 16.08×10^-24 cm³; (15)Surface Tension: 38.9 dyne/cm; (16)Density: 0.98 g/cm³; (17)Flash Point: 80.2 °C; (18)Enthalpy of Vaporization: 44.58 kJ/mol; (19)Boiling Point: 209.6 °C at 760 mmHg; (20)Vapour Pressure: 0.201 mmHg at 25 °C.

Preparation: this chemical can be prepared by 3-Methyl-4-methylene-3,4-dihydro-benzo[d][1,2,3]triazine. The reaction temperature is 400 °C. The yield is about 40%.

Uses of Benzonitrile, 2-ethyl-: it can be used to produce 2-Ethyl-benzoic acid at temperature of 170 °C. It will need reagent KOH and solvent ethane-1,2-diol with reaction time of 6.5 hours. The yield is about 84%.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C9H9N/c1-2-8-5-3-4-6-9(8)7-10/h3-6H,2H2,1H3
(2)InChIKey: UZDXATQPJOOHQJ-UHFFFAOYAT
(3)Std. InChI: InChI=1S/C9H9N/c1-2-8-5-3-4-6-9(8)7-10/h3-6H,2H2,1H3
(4)Std. InChIKey: UZDXATQPJOOHQJ-UHFFFAOYSA-N