2-Phenoxybenzoic acid

Base Information

• Chemical Name: 2-Phenoxybenzoic acid
• CAS No.: 2243-42-7
• Molecular Formula: C13H10O3
• Molecular Weight: 214.221
• Hs Code.: 29189900
• European Community (EC) Number: 252-989-5,218-811-5
• NSC Number: 39656
• UNII: 902C93KXK0
• DSSTox Substance ID: DTXSID8062286
• Nikkaji Number: J32.070F
• Wikidata: Q27140035
• Metabolomics Workbench ID: 66033
• ChEMBL ID: CHEMBL2219842
• Mol file: 2243-42-7.mol

Synonyms:2-Phenoxybenzoic acid;2243-42-7;o-Phenoxybenzoic acid;Benzoic acid, 2-phenoxy-;Benzoic acid, o-phenoxy-;2-Phenoxy-benzoic acid;2-PHENOXYBENZOICACID;Phenoxybenzoic acid;ortho-Phenoxybenzoic acid;2-Carboxydiphenyl ether;o-phenoxybenzoic aci;CHEBI:72636;o-carboxydiphenyl ether;2-phenoxy benzoic acid;2-carboxybiphenyl ether;2-PhOC6H4COOH;EINECS 218-811-5;MFCD00002429;NSC 39656;2-PhOC6H4CO2H;AI3-03453;36349-67-4;CHEMBL2219842;diphenyl ether 2-carboxylic acid;902C93KXK0;EINECS 252-989-5;NSC-39656;2-(phenoxy)benzoic acid;Benzoic acid,2-phenoxy-;2-(phenyloxy)benzoic acid;SCHEMBL1798;2-PBA;Oprea1_816007;2-phenoxyphenylcarboxylic acid;2-Phenoxybenzoic acid, 98%;UNII-902C93KXK0;2-phenoxyphenyl carboxylic acid;DTXSID8062286;PKRSYEPBQPFNRB-UHFFFAOYSA-;HMS1607P11;NSC39656;AR1175;BDBM50538221;STK358768;AKOS000119525;AM83133;GS-6049;NCGC00326072-01;LS-38129;SY048275;UNM-0000305915;CS-0073045;EU-0067008;FT-0613275;P1252;UNM000011073601;EN300-17942;AB01141509-03;SR-01000391096;J-014714;SR-01000391096-1;Q27140035;Z57127879;F0347-1640

Chemical Property of 2-Phenoxybenzoic acid

Chemical Property:

• Appearance/Colour: WHITE POWDER
• Vapor Pressure: 2.73E-05mmHg at 25°C
• Melting Point: 110-112 °C(lit.)
• Refractive Index: 1.5090 (estimate)
• Boiling Point: 343.3 °C at 760 mmHg
• PKA: 3.53(at 25℃)
• Flash Point: 132 °C
• PSA: 46.53000
• Density: 1.241 g/cm³
• LogP: 3.17710
• Storage Temp.: Store below +30°C.
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 214.062994177
• Heavy Atom Count: 16
• Complexity: 233

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-Phenoxybenzoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)OC2=CC=CC=C2C(=O)O
• Uses: 2-Phenoxybenzoic acid was used as an internal standard in the quantification of pyrethroid metabolites.

Technology Process of 2-Phenoxybenzoic acid

There total 51 articles about 2-Phenoxybenzoic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 99.0%

2-Iodobenzoic acid (88-67-5) + phenol (108-95-2,27073-41-2) → 2-phenoxybenzoic acid (2243-42-7)

Guidance literature:

With pyridine; copper(l) iodide; copper; 1,8-diazabicyclo[5.4.0]undec-7-ene; In N,N-dimethyl-formamide; at 140 ℃; for 12h; Sealed tube; Inert atmosphere;

DOI:10.1002/chem.201904288

Reference yield: 97.0%

methyl 2-phenoxybenzoate (21905-56-6) → 2-phenoxybenzoic acid (2243-42-7)

Guidance literature:

With barium dihydroxide; In methanol; at 80 ℃; for 2h;

DOI:10.1055/s-2004-832828

Reference yield: 84.0%

ortho-chlorobenzoic acid (118-91-2) + phenol (108-95-2,27073-41-2) → 2-phenoxybenzoic acid (2243-42-7)

Guidance literature:

With copper(l) iodide; copper; potassium carbonate; pyridine; In water; for 0.333333h; ultrasound irradiation;

DOI:10.1081/SCC-120016350

upstream raw materials:

1,4-dioxane

xanth-9-one

potassium tert-butylate

bis(phenyl) carbonate

Downstream raw materials:

xanth-9-one

2-phenoxy-N-phenylbenzamide

benzoic acid

phenol

Refernces

• 1、 -. "COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF". Paragraph 0372-0375. . Retrieved 2021/03/23.
• 2、 Chang, Xihao,Zhang, Qinglin,Guo, Chang. "Electrochemical Reductive Smiles Rearrangement for C-N Bond Formation". supporting information. p. 10 - 13. Retrieved 2019/01/04.