4-Benzyloxybenzonitrile

The CAS register number of 4-Benzyloxybenzonitrile is 52805-36-4. It also can be called as 4-Cyanophenylbenzyl ether. The molecular formula about this chemical is C₁₄H₁₁NO and the molecular weight is 209.24. It belongs to the following product categories which include Aromatic Nitriles; Benzonitriles (Building Blocks for Liquid Crystals); Building Blocks for Liquid Crystals; Functional Materials and so on.

Physical properties about 4-Benzyloxybenzonitrile are: (1)ACD/LogP: 3.53; (2)ACD/LogD (pH 5.5): 3.53; (3)ACD/LogD (pH 7.4): 3.53; (4)ACD/BCF (pH 5.5): 281.53; (5)ACD/BCF (pH 7.4): 281.53; (6)ACD/KOC (pH 5.5): 1972.34; (7)ACD/KOC (pH 7.4): 1972.34; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 33.02 Å²; (11)Index of Refraction: 1.597; (12)Molar Refractivity: 62.39 cm³; (13)Molar Volume: 182.9 cm³; (14)Polarizability: 24.73x10^-24cm³; (15)Surface Tension: 49.6 dyne/cm; (16)Density: 1.14 g/cm³; (17)Flash Point: 157.6 °C; (18)Enthalpy of Vaporization: 62.13 kJ/mol; (19)Boiling Point: 374 °C at 760 mmHg; (20)Vapour Pressure: 8.61E-06 mmHg at 25 °C.

Preparation: this chemical can be prepared by 4-benzyloxy-benzaldehyde. This reaction will need reagents of NH₂OH*HCl, Py.

Uses of 4-Benzyloxybenzonitrile: it can be used to produce 4-benzyloxybenzylamine. This reaction will need reagent of LiAlH₄ and solvent of diethyl ether. The reaction time is 2 hours with reaction temperature of 4 °C.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed. It is irritating to eyes, respiratory system and skin. It may cause inflammation to the skin or other mucous membranes. If you want to use this chemical, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you store and use this chemical according the rule, it will not be decomposed. If you want to store it, you should keep the container tightly sealed in dry, cool places. Please ensure that the workshop is well ventilated or equipped with exhaust device.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc2ccc(OCc1ccccc1)cc2
(2)InChI: InChI=1/C14H11NO/c15-10-12-6-8-14(9-7-12)16-11-13-4-2-1-3-5-13/h1-9H,11H2
(3)InChIKey: UDAOJHAASAWVIQ-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C14H11NO/c15-10-12-6-8-14(9-7-12)16-11-13-4-2-1-3-5-13/h1-9H,11H2
(5)Std. InChIKey: UDAOJHAASAWVIQ-UHFFFAOYSA-N