2-PHENOXYBENZOIC ACID

The Benzoic acid,2-phenoxy-, with the CAS registry number of 2243-42-7, is also known as ortho-Phenoxybenzoic acid. It belongs to the product categories of Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; C13 to C42+; Carbonyl Compounds; Carboxylic Acids. Its EINECS registry number is 218-811-5. This chemical's molecular formula is C₁₃H₁₀O₃ and molecular weight is 214.22. What's more, its IUPAC name is 2-Phenoxybenzoic acid. In addition, it must be stored in airtight containers and placed in a dry, cool place.

Physical properties about the Benzoic acid,2-phenoxy- are: (1)ACD/LogP: 3.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.14; (4)ACD/LogD (pH 7.4): 0.01; (5)ACD/BCF (pH 5.5): 1.48; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 12.91; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.607; (14)Molar Refractivity: 59.62 cm³; (15)Molar Volume: 172.5 cm³; (16)Surface Tension: 50.7 dyne/cm; (17)Density: 1.241 g/cm³; (18)Flash Point: 132 °C; (19)Enthalpy of Vaporization: 61.96 kJ/mol; (20)Boiling Point: 343.3 °C at 760 mmHg; (21)Vapour Pressure: 2.73E-05 mmHg at 25 °C.

Preparation: this chemical is prepared by 10-Phenylxanthonium tetrafluoroborate. The reaction needs reagent Peracetic acid and solvent H₂SO₄. The reaction time is 16 days with reaction temperature of 0 - 20 °C.



Uses: it is used to produce other chemicals. For example, it is used to produce Xanthen-9-one. This reaction needs reagent LDA. Meanwhile, it needs solvent Tetrahydrofuran. The reaction is 0 - 25 °C. The yield is about 84 %.



When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. In addition, during using it, wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c2ccccc2Oc1ccccc1
(2) InChI: InChI=1/C13H10O3/c14-13(15)11-8-4-5-9-12(11)16-10-6-2-1-3-7-10/h1-9H,(H,14,15)
(3) InChIKey: PKRSYEPBQPFNRB-UHFFFAOYAG