1,1'-Sulfonylbis(3,5-dibromo-4-(2,3-dibromopropoxy)benzene)

Base Information

• Chemical Name: 1,1'-Sulfonylbis(3,5-dibromo-4-(2,3-dibromopropoxy)benzene)
• CAS No.: 42757-55-1
• Deprecated CAS: 74900-09-7,2199458-54-1
• Molecular Formula: C₁₈H₁₄Br₈O₄S
• Molecular Weight: 965.605
• European Community (EC) Number: 255-929-6
• UNII: 00U7T33ZVU
• DSSTox Substance ID: DTXSID5044942
• Nikkaji Number: J309.965B
• Wikidata: Q27231378
• Mol file: 42757-55-1.mol

Synonyms:42757-55-1;Octabromobisphenol-S;5,5'-Sulfonylbis(1,3-dibromo-2-(2,3-dibromopropoxy)benzene);1,1'-Sulfonylbis(3,5-dibromo-4-(2,3-dibromopropoxy)benzene);1,3-dibromo-5-[3,5-dibromo-4-(2,3-dibromopropoxy)phenyl]sulfonyl-2-(2,3-dibromopropoxy)benzene;EINECS 255-929-6;UNII-00U7T33ZVU;00U7T33ZVU;Bis(3,5-dibromo-4-(2,3-dibromopropoxy)phenyl) sulphone;Benzene, 1,1'-sulfonylbis(3,5-dibromo-4-(2,3-dibromopropoxy)-;Bis[3,5-dibromo-4-(2,3-dibromopropoxy)phenyl] sulphone;TETRABROMOBISPHENOL S BIS-(2,3-DIBROMOPROPYL ETHER)(TBBP-DBPE);1,1'-Sulfonylbis[3,5-dibromo-4-(2,3-dibromopropoxy)benzene];C18H14Br8O4S;Benzene, 1,1'-sulfonylbis[3,5-dibromo-4-(2,3-dibromopropoxy)-;1,3-DIBROMO-5-(3,5-DIBROMO-4-(2,3-DIBROMOPROPOXY)PHENYL)SULFONYL-2-(2,3-DIBROMOPROPOXY)BENZENE;NONNEN PR 2;FIRE CUT P 65CN;NONNEN 52;FLAME CUT 161R;FCP-65CN;PR 2;SCHEMBL2679539;DTXSID5044942;C18-H14-Br8-O4-S;AKOS001027148;AKOS016874778;AC-19742;BS-49270;J309.965B;FT-0704540;E78658;Tetrabromobisphenol S bis(2,3-dibromopropylether);Tetrabromobisphenol S Bis-(2,3-Dibromopropyl Ether;W-106261;Q27231378;Z56756184;BIS(3,5-DIBROMO-4-(2,3-DIBROMOPROPOXY)PHENYL) SULFONE;Benzene, 1,1'-sulfonylbis[3,5-dibromo- 4-(2,3-dibromopropoxy)-;4,4'-SULFONYLBIS(2,6-DIBROMO-1-(2,3-DIBROMOPROPOXY)BENZENE);4,4'-BIS(2,3-DIBROMOPROPOXY)-3,3',5,5'-TETRABROMODIPHENYL SULFONE

Chemical Property of 1,1'-Sulfonylbis(3,5-dibromo-4-(2,3-dibromopropoxy)benzene)

Chemical Property:

• Appearance/Colour: white powder
• Vapor Pressure: 1.24E-23mmHg at 25°C
• Melting Point: 115-120 °C
• Refractive Index: 1.67
• Boiling Point: 785 °C at 760 mmHg
• Flash Point: 428.5 °C
• PSA: 60.98000
• Density: 2.354 g/cm³
• LogP: 9.72460
• Storage Temp.: 2-8°C
• Solubility.: DMSO (Slightly), Ethyl Acetate (Slightly, Heated)
• XLogP3: 8.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 10
• Exact Mass: 965.39978
• Heavy Atom Count: 31
• Complexity: 579

Purity/Quality:

99% ^*data from raw suppliers

5,5'-Sulfonylbis(1,3-dibromo-2-(2,3-dibromopropoxy)benzene) 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1Br)OCC(CBr)Br)Br)S(=O)(=O)C2=CC(=C(C(=C2)Br)OCC(CBr)Br)Br

Technology Process of 1,1'-Sulfonylbis(3,5-dibromo-4-(2,3-dibromopropoxy)benzene)

There total 5 articles about 1,1'-Sulfonylbis(3,5-dibromo-4-(2,3-dibromopropoxy)benzene) 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: 98.0%

4,4’-sulfonylbis((allyloxy)benzene) (41481-63-4) → tetrabromobisphenol-S-bis-(2,3-dibromopropyl ether) (42757-55-1)

Guidance literature:

With tetrabutylammomium bromide; bromine; In chloroform; water; at 15 - 35 ℃; for 2h; Solvent; Temperature;

Reference yield: 97.0%

TBBP-S-dially ether (42757-54-0) → tetrabromobisphenol-S-bis-(2,3-dibromopropyl ether) (42757-55-1)

Guidance literature:

With bromine; In tetrachloromethane; dichloromethane; at 0 ℃;

DOI:10.1016/S0045-6535(99)00039-9

Reference yield:

4,4'-sulfonediphenol (80-09-1,59790-00-0) → tetrabromobisphenol-S-bis-(2,3-dibromopropyl ether) (42757-55-1)

Guidance literature:

Multi-step reaction with 3 steps

1: 45.7 percent / Br₂; Fe

2: 54 percent / K₂CO₃ / dimethylformamide / Heating

3: 97 percent / bromine / CCl₄; CH₂Cl₂ / 0 °C

With bromine; iron; potassium carbonate; In tetrachloromethane; dichloromethane; N,N-dimethyl-formamide; 1: Bromination / 2: Alkylation / 3: Bromination;

DOI:10.1016/S0045-6535(99)00039-9

upstream raw materials:

TBBP-S-dially ether

4,4'-sulfonediphenol

2,2-bis(3,5-dibromo-4-hydroxyphenyl)sulfone

4,4’-sulfonylbis((allyloxy)benzene)

Refernces

• 1、 -. "Preparation method for octabromo S ether". Paragraph 0031; 0036-0038; 0043-0045; 0050-0052; 0057-0059;. . Retrieved 2019/07/01.
• 2、 -. "Bromine compound production method". . . Retrieved 2008/06/13.