4-propoxybenzonitrile

This chemical is called 4-Propoxybenzonitrile, and it can also be named as benzonitrile, 4-propoxy-. With the molecular formula of C₁₀H₁₁NO, its product category is Aromatic Nitriles. The CAS registry number of this chemical is 60758-84-1. In addition, this chemical should be sealed in the cool and dry place, away from oxides.

Other characteristics of the 4-Propoxybenzonitrile can be summarised as followings: (1)ACD/LogP: 2.93; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 33.02 Å²; (7)Index of Refraction: 1.515; (8)Molar Refractivity: 46.94 cm³; (9)Molar Volume: 155.5 cm³; (10)Polarizability: 18.61×10^-24cm³; (11)Surface Tension: 40.2 dyne/cm; (12)Density: 1.03 g/cm³; (13)Flash Point: 117.7 °C; (14)Enthalpy of Vaporization: 51.89 kJ/mol; (15)Boiling Point: 280.2 °C at 760 mmHg; (16)Vapour Pressure: 0.00385 mmHg at 25°C.

Production method of this chemical: The 4-Propoxybenzonitrile could be obtained by the reactants of 4-hydroxy-benzonitrile and 1-bromo-propane. This reaction needs the reagent of K₂CO₃, and the solvent of butan-2-one. In addition, this reaction should be taken for 15 hours. The other condition is heating.

Uses of this chemical: The 4-Propoxybenzonitrile could react with ethanol, and obtain the (4-Propoxy-benzimidsaeure)-aethylester. This reaction needs the reagent of HCl, and the solvent of CHCl₃. The yield is 95 %.

When you are using this chemical, please be cautious about it as the following: This chemical is harmful by inhalation, in contacting with skin and if swallowed. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1.SMILES: N#Cc1ccc(OCCC)cc1
2.InChI: InChI=1/C10H11NO/c1-2-7-12-10-5-3-9(8-11)4-6-10/h3-6H,2,7H2,1H3
3.InChIKey: VYOPNUZYNSNYRA-UHFFFAOYAG