2,2?3,4,4?5,6-HEPTABROMODIPHENYL ETHER

Base Information

• Chemical Name: 2,2?3,4,4?5,6-HEPTABROMODIPHENYL ETHER
• CAS No.: 207122-16-5
• Molecular Formula: C12H3Br7O
• Molecular Weight: 722.483
• UNII: 6M82N9DXAI
• ChEMBL ID: CHEMBL219178
• DSSTox Substance ID: DTXSID8052693
• Metabolomics Workbench ID: 47816
• Nikkaji Number: J248.363G
• Wikidata: Q27155453
• Mol file: 207122-16-5.mol

Synonyms:2,3,4,6-tetrabromophenyl 2,4,5-tribromophenyl ether;;PBDE 183;;Benzene,1,2,3,5-tetrabromo-4-(2,4,5-tribromophenoxy);;2,2',3,4,4',5',6-Heptabromodiphenyl ether solution;;2,2',3,4,4',5',6-heptabromodiphenyl ester;2,2',3,4,4',5',6-HeptaBDE;;

Chemical Property of 2,2?3,4,4?5,6-HEPTABROMODIPHENYL ETHER

Chemical Property:

• Vapor Pressure: 2.69E-09mmHg at 25°C
• Melting Point: 174-174.5 oC (ethyl ether )**
• Refractive Index: 1.707
• Boiling Point: 490.7oC at 760 mmHg
• Flash Point: 205.1oC
• PSA: 9.23000
• Density: 2.643g/cm3
• LogP: 8.81640
• Storage Temp.: 2-8°C
• XLogP3: 8.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 721.44060
• Heavy Atom Count: 20
• Complexity: 331

Purity/Quality:

99% ^*data from raw suppliers

BDE183 ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,Xn,N
• Hazard Codes: F,Xn,N
• Statements: 11-38-50/53-65-67
• Safety Statements: 9-16-29-33-60-61-62

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=C(C(=CC(=C1Br)Br)Br)OC2=C(C(=C(C=C2Br)Br)Br)Br

Technology Process of 2,2?3,4,4?5,6-HEPTABROMODIPHENYL ETHER

There total 10 articles about 2,2?3,4,4?5,6-HEPTABROMODIPHENYL ETHER 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: 72.0%

1,2,4-tribromobenzene (615-54-3) + 2,3,4,6-tetrabromophenol (14400-94-3) → 2,3,4,6-tetrabromophenyl 2,4,5-tribromophenyl ether (207122-16-5)

Guidance literature:

With montmorillonite K₁₀ Clay; for 0.916667h; Microwave irradiation;

Reference yield: 54.0%

2,3,4,6-tetrabromophenol (14400-94-3) + 4-methoxyphenyl-2',4',5'-tribromophenyliodonium bromide → 2,3,4,6-tetrabromophenyl 2,4,5-tribromophenyl ether (207122-16-5)

Guidance literature:

With sodium hydroxide; In water; for 2h; Heating;

DOI:10.1016/j.tet.2006.01.092

Reference yield:

1-Bromo-3-iodobenzene (591-18-4) → 2,3,4,6-tetrabromophenyl 2,4,5-tribromophenyl ether (207122-16-5)

Guidance literature:

Multi-step reaction with 4 steps

1.1: 64.9 percent / bromine; Fe / CH₂Cl₂ / Heating

2.1: sulfuric acid; acetic acid; acetic acid anhydride / CrO₃ / 0 - 25 °C

3.1: 0 - 20 °C

3.2: methanol; H₂O / 1 h

3.3: NaBr / H₂O / 3 h

4.1: 54 percent / sodium hydroxide / H₂O / 2 h / Heating

With sodium hydroxide; sulfuric acid; bromine; acetic anhydride; iron; acetic acid; chromium(VI) oxide; In dichloromethane; water;

DOI:10.1016/j.tet.2006.01.092

upstream raw materials:

2,3,4,6-tetrabromophenol

2,4,5-tribromophenyl acetate

3-Bromophenol

1-Bromo-3-iodobenzene

Refernces

• 1、 Liu, Huiling,Bernhardsen, Monica,Fiksdahl, Anne. "Polybrominated diphenyl ethers (BDEs); preparation of reference standards and fluorinated internal analytical standards". . p. 3564 - 3572. Retrieved 2007/10/03.