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CAS No.: | 6328-74-1 |
---|---|
Name: | 4-Phenoxyphenylacetic acid |
Article Data: | 12 |
Molecular Structure: | |
Formula: | C14H12O3 |
Molecular Weight: | 228.247 |
Synonyms: | Aceticacid, (p-phenoxyphenyl)- (7CI,8CI);(4-Phenoxyphenyl)acetic acid;2-(4-Phenovbvbvbxyphenyl)acetic acid;2-(4-Phenoxyphenyl)acetic acid;4-(Carboxymethyl)diphenyl ether;4-Phenoxyphenylethanoic acid;NSC 43857;p-Phenyloxyphenylacetic acid; |
Density: | 1.217 g/cm3 |
Melting Point: | 72-79 °C |
Boiling Point: | 382.3 °C at 760 mmHg |
Flash Point: | 146 °C |
Appearance: | WHITE TO TAN POWDER, CRYSTALS OR CRYSTALLINE POWDER AND/OR CHUNKS |
Hazard Symbols: | Xn,N,Xi |
Risk Codes: | 22-50 |
Safety: | 60-61 |
PSA: | 46.53000 |
LogP: | 3.10600 |
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The 4-Phenoxyphenylacetic acid, with the CAS registry number 6328-74-1, is also known as 4-Phenoxyphenylacetic acid. It belongs to the product categories of Aromatic Phenylacetic Acids and Derivatives; Phenylacetic acid. This chemical's molecular formula is C14H12O3 and molecular weight is 228.24. Its IUPAC name is called 2-(4-phenoxyphenyl)acetic acid. The product should be sealed and stored in cool and dry place.
Physical properties of 4-Phenoxyphenylacetic acid: (1)ACD/LogP: 3.50; (2)ACD/LogD (pH 5.5): 2.31; (3)ACD/LogD (pH 7.4): 0.52; (4)ACD/BCF (pH 5.5): 17.39; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 123.57; (7)ACD/KOC (pH 7.4): 2; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Index of Refraction: 1.596; (12)Molar Refractivity: 63.81 cm3; (13)Molar Volume: 187.4 cm3; (14)Surface Tension: 49.3 dyne/cm; (15)Density: 1.217 g/cm3; (16)Flash Point: 146 °C; (17)Enthalpy of Vaporization: 66.52 kJ/mol; (18)Boiling Point: 382.3 °C at 760 mmHg; (19)Vapour Pressure: 1.59E-06 mmHg at 25°C.
Uses of 4-Phenoxyphenylacetic acid: it can be used to produce 5-[2-(4-phenoxy-benzyl)-benzooxazol-5-ylmethyl]-thiazolidine-2,4-dione at temperature of 150 °C. This reaction will need reagent trimethylsilyl polyphosphate and solvent 1,2-dichloro-benzene with reaction time of 1.5 hours. The yield is about 48%.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health and may present an immediate or delayed danger to one or more components of the environment. Besides, it may cause inflammation to the skin or other mucous membranes. It is harmful if swallowed. In addition, it is very toxic to aquatic organisms. This material and its container must be disposed of as hazardous waste. You should avoid releasing it to the environment.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)OC2=CC=C(C=C2)CC(=O)O
(2)InChI: InChI=1S/C14H12O3/c15-14(16)10-11-6-8-13(9-7-11)17-12-4-2-1-3-5-12/h1-9H,10H2,(H,15,16)
(3)InChIKey: VARVNFDGRLLTCI-UHFFFAOYSA-N