3-PHENOXYPHENYLACETIC ACID

The Benzeneacetic acid,3-phenoxy-, with the CAS registry number 32852-81-6, is also known as (3-Phenoxyphenyl)acetic acid. It belongs to the product categories of Aromatic Phenylacetic Acids and Derivatives; Carbonyl Compounds; Carboxylic Acids. This chemical's molecular formula is C₁₄H₁₂O₃ and molecular weight is 228.24. What's more, its IUPAC name is 2-(3-Phenoxyphenyl)acetic acid. Additionally, it should be preserved hermetically and put in a cool, dry place. You should ensure that workplaces have good ventilation or exhaust.

Physical properties about Benzeneacetic acid,3-phenoxy-: (1)ACD/LogP: 3.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.13; (4)ACD/LogD (pH 7.4): 0.36; (5)ACD/BCF (pH 5.5): 11.45; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 81.37; (8)ACD/KOC (pH 7.4): 1.4; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.596; (14)Molar Refractivity: 63.81 cm³; (15)Molar Volume: 187.4 cm³; (16)Surface Tension: 49.3 dyne/cm; (17)Density: 1.217 g/cm³; (18)Flash Point: 147.4 °C; (19)Enthalpy of Vaporization: 66.89 kJ/mol ; (20)Boiling Point: 385.4 °C at 760 mmHg; (21)Vapour Pressure: 1.25E-06 mmHg at 25 °C; (22)Melting point: 88-91 °C.

Preparation of Benzeneacetic acid,3-phenoxy-: it can be obtained by 1-(Chloromethyl)-3-phenoxybenzene. The reaction occurs with reagent NaOH and solvent Methanol at temperature of 55 °C for 4 hours. The yield is 70 %.

Uses of Benzeneacetic acid,3-phenoxy-: it is used to produce other chemicals. For example, it can react with 2,5-Dimethoxy-phenethylamine to get N-[2-(2,5-Dimethoxy-phenyl)-ethyl]-2-(3-phenoxy-phenyl)-acetamide. The reaction occurs with reagents Toluene and light Petroleum and other condition. The yield is 62.3 %.

When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin, eyes and respiratory system or other mucous membranes. Therefore, you should wear suitable protective clothing and gloves. And in case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)Cc2cc(Oc1ccccc1)ccc2
(2) InChI: InChI=1/C14H12O3/c15-14(16)10-11-5-4-8-13(9-11)17-12-6-2-1-3-7-12/h1-9H,10H2,(H,15,16)
(3) InChIKey: LEMRHTTWKDVQEI-UHFFFAOYAY