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(3-Phenoxyphenyl)acetic acid

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Name

(3-Phenoxyphenyl)acetic acid

EINECS N/A
CAS No. 32852-81-6 Density 1.218 g/cm3
PSA 46.53000 LogP 3.10600
Solubility N/A Melting Point 88-91 °C(lit.)
Formula C14H12O3 Boiling Point 385.378 °C at 760 mmHg
Molecular Weight 228.247 Flash Point 147.396 °C
Transport Information N/A Appearance N/A
Safety 26-36/37 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 32852-81-6 (3-PHENOXYPHENYLACETIC ACID) Hazard Symbols IrritantXi
Synonyms

Aceticacid, (m-phenoxyphenyl)- (8CI);2-(3-Phenoxyphenyl)acetic acid;2-(3-Phenoxyphenyl)ethanoic acid;RU 5142;

Article Data 5

(3-Phenoxyphenyl)acetic acid Specification

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 %.

Benzeneacetic acid,3-phenoxy- can be obtained by 1-(Chloromethyl)-3-phenoxybenzene

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 %.

Benzeneacetic acid,3-phenoxy- can react with 2,5-Dimethoxy-phenethylamine to get N-[2-(2,5-dimethoxy-phenyl)-ethyl]-2-(3-phenoxy-phenyl)-acetamide

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

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