4'-Phenoxyacetophenone

The Ethanone,1-(4-phenoxyphenyl)-, with CAS registry number 5031-78-7, belongs to the following product categories: (1)Aromatic Acetophenones & Derivatives (substituted); (2)Benzene series; (3)Acetophenone; (4)Organic Photoinitiators; (5)Polymerization Initiators. It has the systematic name of 1-(4-phenoxyphenyl)ethanone. And this chemical is a kind of light yellow powder.

Physical properties of Ethanone,1-(4-phenoxyphenyl)-: (1)ACD/LogP: 3.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.91; (4)ACD/LogD (pH 7.4): 3.91; (5)ACD/BCF (pH 5.5): 549.31; (6)ACD/BCF (pH 7.4): 549.31; (7)ACD/KOC (pH 5.5): 3182.46; (8)ACD/KOC (pH 7.4): 3182.46; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.568; (14)Molar Refractivity: 62.72 cm³; (15)Molar Volume: 191.5 cm³; (16)Polarizability: 24.86×10^-24cm³; (17)Surface Tension: 40.6 dyne/cm; (18)Enthalpy of Vaporization: 59 kJ/mol; (19)Vapour Pressure: 5.97E-05 mmHg at 25°C.

Preparation: this chemical can be prepared by diphenyl ether and acetyl chloride. This reaction will need solvent nitromethane. The reaction time is 30 min. The yield is about 67%.

Uses of Ethanone,1-(4-phenoxyphenyl)-: it can be used to produce 4-phenoxy-benzoic acid. This reaction will need reagent aqueous KClO.

When you are using this chemical, please be cautious about it as the following:
The Ethanone,1-(4-phenoxyphenyl)- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c2ccc(Oc1ccccc1)cc2)C
(2)InChI: InChI=1/C14H12O2/c1-11(15)12-7-9-14(10-8-12)16-13-5-3-2-4-6-13/h2-10H,1H3
(3)InChIKey: DJNIFZYQFLFGDT-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C14H12O2/c1-11(15)12-7-9-14(10-8-12)16-13-5-3-2-4-6-13/h2-10H,1H3
(5)Std. InChIKey: DJNIFZYQFLFGDT-UHFFFAOYSA-N