2,2',3,3',4,4',5,6,6'-Nonabromodiphenyl ether

Base Information

• Chemical Name: 2,2',3,3',4,4',5,6,6'-Nonabromodiphenyl ether
• CAS No.: 437701-79-6
• Molecular Formula: C12H Br9 O
• Molecular Weight: 880.275
• UNII: 872OKM983V
• DSSTox Substance ID: DTXSID30451985
• Nikkaji Number: J248.384J
• Wikidata: Q27269785
• Mol file: 437701-79-6.mol

Synonyms:2,2',3,3',4,4',5,6,6'-nonabromodiphenyl ether;BDE 207;BDE-207;BDE207

Chemical Property of 2,2',3,3',4,4',5,6,6'-Nonabromodiphenyl ether

Chemical Property:

• Melting Point: 201-201.5 °C(Solv: acetonitrile (75-05-8); tetrahydrofuran (109-99-9))
• Boiling Point: 541.6±50.0 °C(Predicted)
• Flash Point: -12 °C
• PSA: 9.23000
• Density: 2.879±0.06 g/cm3(Predicted)
• LogP: 10.34140
• XLogP3: 9.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 879.25958
• Heavy Atom Count: 22
• Complexity: 370

Purity/Quality:

99% ^*data from raw suppliers

1,2,3,4,5-Pentabromo-6-(2,3,4,6-tetrabromophenoxy)benzene ^*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(=C(C(=C1Br)Br)Br)OC2=C(C(=C(C(=C2Br)Br)Br)Br)Br)Br
• Uses: 1,2,3,4,5-Pentabromo-6-(2,3,4,6-tetrabromophenoxy)benzene is a polybrominated diphenyl ethers (PBDEs) found as a contaminant in soil.

Technology Process of 2,2',3,3',4,4',5,6,6'-Nonabromodiphenyl ether

There total 5 articles about 2,2',3,3',4,4',5,6,6'-Nonabromodiphenyl 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:

diphenylether (101-84-8) → 2,2',3,3',4,5,5',6,6'-nonabromodiphenyl ether (437701-78-5) + nonabromodiphenyl ether (63387-28-0) + BDE-207 (437701-79-6) + 2,2',3,3',4,4',5,5',6,6'-Decabromodiphenyl ether (1163-19-5)

Guidance literature:

With bromine; aluminum (III) chloride; at 55 - 61 ℃; for 6.25h; Product distribution / selectivity;

Reference yield:

diphenylether (101-84-8) → 2,2',3,3',4,5,5',6,6'-nonabromodiphenyl ether (437701-78-5) + BDE-207 (437701-79-6) + C12Br9ClO (918947-03-2) + C12Br9ClO + C12Br9ClO + 2,2',3,3',4,4',5,5',6,6'-Decabromodiphenyl ether (1163-19-5)

Guidance literature:

With bromine; bromine chloride; aluminum (III) chloride; at 55 - 57 ℃; for 2.23333h; Product distribution / selectivity; Heating / reflux;

Reference yield:

diphenylether (101-84-8) → 2,2',3,3',4,5,5',6,6'-nonabromodiphenyl ether (437701-78-5) + nonabromodiphenyl ether (63387-28-0) + BDE-207 (437701-79-6) + C12Br9ClO (918947-03-2) + C12Br9ClO + C12Br9ClO + 2,2',3,3',4,4',5,5',6,6'-Decabromodiphenyl ether (1163-19-5)

Guidance literature:

With bromine; bromine chloride; aluminum (III) chloride; at 56 ℃; for 0.0666667h; Product distribution / selectivity; Heating / reflux;

upstream raw materials:

diphenylether

2,2',3,3',4,4',5,5',6,6'-Decabromodiphenyl ether

Refernces

• 1、 Li, Lina,Chang, Wei,Wang, Ying,Ji, Hongwei,Chen, Chuncheng,Ma, Wanhong,Zhao, Jincai. "Rapid, photocatalytic, and deep debromination of polybrominated diphenyl ethers on Pd-TiO2: Intermediates and pathways". supporting information. p. 11163 - 11170,8. Retrieved 2015/02/02.
• 2、 -. "PREPARATION OF HIGH ASSAY DECABROMODIPHENYL OXIDE". Page/Page column 8-9. . Retrieved 2008/06/13.