3-Phenoxyphenol

Base Information

• Chemical Name: 3-Phenoxyphenol
• CAS No.: 713-68-8
• Molecular Formula: C12H10 O2
• Molecular Weight: 186.21
• Hs Code.: 29094990
• European Community (EC) Number: 211-930-3
• NSC Number: 57079
• UNII: 8BD0Y8N9WU
• DSSTox Substance ID: DTXSID9061047
• Nikkaji Number: J34.566K
• Wikidata: Q27119797
• Metabolomics Workbench ID: 56212
• ChEMBL ID: CHEMBL2163966
• Mol file: 713-68-8.mol

Synonyms:3-PHENOXYPHENOL;713-68-8;m-Phenoxyphenol;Phenol, 3-phenoxy-;Phenol, m-phenoxy-;3-Hydroxydiphenyl ether;3-phenoxy-phenol;EINECS 211-930-3;NSC 57079;UNII-8BD0Y8N9WU;BRN 1869624;8BD0Y8N9WU;CHEBI:39263;NSC-57079;4-06-00-05667 (Beilstein Handbook Reference);meta-phenoxyphenol;NSC57079;V6P;MFCD00003543;3-Phenoxyphenol, 98%;WLN: QR COR;Oprea1_324672;SCHEMBL450261;CHEMBL2163966;DTXSID9061047;HMS1607G20;AMY28475;STR07918;BBL023624;GEO-02101;STL282769;AKOS001116770;NCGC00338521-01;LS-105048;CS-0044850;EU-0000170;FT-0616316;EN300-18763;D72710;AB01330677-02;A837164;SR-01000390198;SR-01000390198-1;W-200495;Q27119797;Z90123531

Chemical Property of 3-Phenoxyphenol

Chemical Property:

• Appearance/Colour: CLEAR PALE YELLOW LIQUID
• Vapor Pressure: 0.000152mmHg at 25°C
• Melting Point: 41-42 °C(lit.)
• Refractive Index: n20/D 1.601(lit.)
• Boiling Point: 185 °C12 mm Hg(lit.)
• PKA: 9.29±0.10(Predicted)
• Flash Point: >230 °F
• PSA: 29.46000
• Density: 1.159 g/mL at 25 °C(lit.)
• LogP: 3.18450
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 186.068079557
• Heavy Atom Count: 14
• Complexity: 164

Purity/Quality:

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

3-Phenoxyphenol 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,Xi,C
• Hazard Codes: Xn,Xi,C
• Statements: 22-36/37/38-34
• Safety Statements: 26-36-45-36/37/39-27

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)OC2=CC=CC(=C2)O

Technology Process of 3-Phenoxyphenol

There total 17 articles about 3-Phenoxyphenol 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: 100.0%

1-Benzyloxy-3-phenoxy-benzene (585509-92-8) → meta-phenoxyphenol (713-68-8)

Guidance literature:

With ammonium formate; palladium on activated charcoal; In acetone; for 72h; Heating;

Reference yield: 95.0%

3-phenoxyaniline (3586-12-7) → meta-phenoxyphenol (713-68-8)

Guidance literature:

3-phenoxyaniline; With sulfuric acid; at 20 ℃; Cooling with ice;

With sodium nitrite; In water; Reflux;

DOI:10.1002/hc.21275

Reference yield: 88.0%

3-phenoxyphenylboronic acid (221006-66-2) → meta-phenoxyphenol (713-68-8)

Guidance literature:

With potassium tert-butylate; methylhydrazine; In ethanol; for 15h; Reflux;

upstream raw materials:

1-methoxy-3-phenoxybenzene

3-phenoxyaniline

1-Benzyloxy-3-phenoxy-benzene

3-Iodophenol

Downstream raw materials:

(E)-2-Phenyl-ethenesulfonic acid 3-phenoxy-phenyl ester

(3-phenoxyphenoxy)acetic acid

bis(m-phenoxyphenyl)ether

4′,6′-bis([1,1′-biphenyl]-4-yloxy)-5′-bromo-1,1′:3′,1″-terphenyl

Refernces

• 1、 -. "Compound and light emitting device comprising the same". Paragraph 0398-0401. . Retrieved 2021/09/14.
• 2、 Hajipour, Abdol R.,Khorsandi, Zahra,Fatemeh Mohammadi Metkazini. "Palladium nanoparticles supported on cysteine-functionalized MNPs as robust recyclable catalysts for fast O- and N-arylation reactions in green media". . . Retrieved 2019/08/12.