1,2,5,6-Tetrabromocyclooctane

Base Information

• Chemical Name: 1,2,5,6-Tetrabromocyclooctane
• CAS No.: 3194-57-8
• Molecular Formula: C8H12 Br4
• Molecular Weight: 427.799
• Hs Code.: 2903890090
• European Community (EC) Number: 690-593-8
• NSC Number: 167079
• DSSTox Substance ID: DTXSID0052750
• Nikkaji Number: J124.822G
• Mol file: 3194-57-8.mol

Synonyms:1,2,5,6-tetrabromocyclooctane;TBCO cpd

Chemical Property of 1,2,5,6-Tetrabromocyclooctane

Chemical Property:

• Vapor Pressure: 3.59E-05mmHg at 25°C
• Melting Point: 147-148 °C
• Boiling Point: 364.2°Cat760mmHg
• Flash Point: 169.3°C
• PSA: 0.00000
• Density: 2.145g/cm³
• LogP: 4.61440
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 427.76315
• Heavy Atom Count: 12
• Complexity: 107

Purity/Quality:

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

1,2,5,6-Tetrabromocyclooctane ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(C(CCC(C1Br)Br)Br)Br
• Uses: 1,2,5,6-Tetrabromocyclooctane is a brominated flame retardant (BFR) and an environmental contaminant.

Technology Process of 1,2,5,6-Tetrabromocyclooctane

There total 1 articles about 1,2,5,6-Tetrabromocyclooctane 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:

1,5-cis,cis-cyclooctadiene (1552-12-1,111-78-4) → 1,2,5,6-tetrabromocyclooctane (3194-57-8) + (Z)-5,6-dibromocyclooct-1-ene (24165-06-8)

Guidance literature:

With bromine; at 25 ℃; for 24h; Title compound not separated from byproducts;

DOI:10.1021/jo00150a029

Reference yield: 61.0%

1,2,5,6-tetrabromocyclooctane (3194-57-8) → 1,3,5,7-cyclooctatetraene (629-20-9)

Guidance literature:

With 18-crown-6 ether; potassium tert-butylate; In water; pentane;

Reference yield:

1,2,5,6-tetrabromocyclooctane (3194-57-8) → 1,3,5,7-cyclooctatetraene (629-20-9) + (1E,5E)-1,5-dibromocycloocta-1,5-diene + (1E,5E)-1,6-dibromocycloocta-1,5-diene

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; In hexane; Yield given. Yields of byproduct given. Title compound not separated from byproducts; Heating;

DOI:10.1016/0040-4039(96)00384-X

upstream raw materials:

1,5-cis,cis-cyclooctadiene

Downstream raw materials:

1,5-cis,cis-cyclooctadiene

1,5-cyclooctadiyne

1,3,5,7-cyclooctatetraene

Refernces