1-Bromo-3-phenoxybenzene

Base Information

• Chemical Name: 1-Bromo-3-phenoxybenzene
• CAS No.: 6876-00-2
• Molecular Formula: C12H9BrO
• Molecular Weight: 249.107
• Hs Code.: 2909303890
• European Community (EC) Number: 663-208-6
• NSC Number: 57095
• UNII: 3W9N49713J
• DSSTox Substance ID: DTXSID9074773
• Nikkaji Number: J151.727I
• Wikidata: Q27258130
• Mol file: 6876-00-2.mol

Synonyms:1-Bromo-3-phenoxybenzene;6876-00-2;3-Phenoxybromobenzene;3-BROMODIPHENYL ETHER;Benzene, 1-bromo-3-phenoxy-;MFCD00474520;PBDE 002;UNII-3W9N49713J;NSC-57095;3W9N49713J;NSC57095;m-bromodiphenyl ether;3-phenoxyphenyl bromide;1-phenoxy-3-bromobenzene;BDE No 2;PBDE 2;1-bromo-3-phenoxy-benzene;SCHEMBL5434;3-Bromodiphenyl ether, 97%;5-(acetylamino)-2-furoicacid;DTXSID9074773;AHDAKFFMKLQPTD-UHFFFAOYSA-;BBL101798;CL8604;NSC 57095;STL555595;AKOS001586441;AB91707;AM82877;CS-W016700;PS-7500;AC-23646;BDE No??2, analytical reference material;LS-29212;SY014492;EU-0066933;FT-0650968;SR-01000390202;J-504430;SR-01000390202-1;Q27258130

Chemical Property of 1-Bromo-3-phenoxybenzene

Chemical Property:

• Vapor Pressure: 0.0019mmHg at 25°C
• Refractive Index: 1.6076 (589.3 nm 20℃)
• Boiling Point: 301.3 °C at 760 mmHg
• Flash Point: 119 °C
• PSA: 9.23000
• Density: 1.413 g/cm³
• LogP: 4.24140
• Storage Temp.: Room temperature.
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 247.98368
• Heavy Atom Count: 14
• Complexity: 166

Purity/Quality:

99%, ^*data from raw suppliers

1-Bromo-3-phenoxybenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,N
• Statements: 37/38-41-43-51/53
• Safety Statements: 26-36/37/39-61

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 1-Bromo-3-phenoxybenzene

There total 11 articles about 1-Bromo-3-phenoxybenzene 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: 96.0%

1,3-dibromobenzene (108-36-1) + phenol (108-95-2,27073-41-2) → 3-bromodiphenyl ether (6876-00-2)

Guidance literature:

With caesium carbonate; copper(II) oxide; In 1-methyl-pyrrolidin-2-one; at 195 ℃; for 0.833333h; Inert atmosphere;

Reference yield: 86.0%

(3-bromophenyl)boronic acid (89598-96-9) + mesityl(phenyl)iodonium triflouromethanesulfonate (144930-50-7) → 3-bromodiphenyl ether (6876-00-2)

Guidance literature:

With Eosin Y; sodium t-butanolate; In N,N-dimethyl-formamide; at 20 ℃; for 2h; Irradiation; Green chemistry;

DOI:10.3184/174751916X14597761998193

Reference yield: 85.0%

3-Bromophenol (591-20-8) + triphenyltin chloride (639-58-7) → 3-bromodiphenyl ether (6876-00-2)

Guidance literature:

With triethylamine; at 20 ℃; for 24h;

DOI:10.1039/c5ra01934f

upstream raw materials:

sodium phenoxide

m-bromodiphenyliodonium iodide

1,3-dibromobenzene

3-phenoxyaniline

Downstream raw materials:

bis(m-phenoxyphenyl)ether

(3-Phenoxy-phenyl)-(4-phenoxy-phenyl)-aether

(3-Phenoxy-phenyl)-tribenzyl-silan

C₁₇H₁₆O₂

Refernces

• 1、 -. "BENZOSULFONYL COMPOUNDS". Paragraph 00459. . Retrieved 2019/03/12.
• 2、 Liu, Li,Tang, Jiaqi,Qiang, Jian,Li, Jian,He, Mingyang. "Visible-light-mediated synthesis of diaryl ethers from arylboronic acids and diaryliodonium salts". . p. 261 - 264. Retrieved 2016/07/06.