Allyl pentabromophenyl ether

Base Information

• Chemical Name: Allyl pentabromophenyl ether
• CAS No.: 3555-11-1
• Molecular Formula: C9H5 Br5 O
• Molecular Weight: 528.658
• Hs Code.: 2909309090
• European Community (EC) Number: 222-610-8
• UNII: 381IAR73BG
• DSSTox Substance ID: DTXSID5063071
• Nikkaji Number: J216.194J
• Wikidata: Q27256723
• Mol file: 3555-11-1.mol

Synonyms:Allyl pentabromophenyl ether;3555-11-1;Flammex 5AE;1,2,3,4,5-pentabromo-6-prop-2-enoxybenzene;Allylpentabromophenylether;pentabromophenyl allyl ether;Allyloxypentabromobenzene;Pentabromophenylallylether;Benzene, pentabromo(2-propenyloxy)-;ETHER, ALLYL PENTABROMOPHENYL;1-Pentabromophenoxy-2-propene;381IAR73BG;Pentabromo(2-propenyloxy)benzene;EINECS 222-610-8;BRN 3338650;Benzene, 1,2,3,4,5-pentabromo-6-(2-propen-1-yloxy)-;Pentabromophenol allyl ether;UNII-381IAR73BG;SCHEMBL285173;DTXSID5063071;(ALLYLOXY)PENTABROMOBENZENE;AKOS024429944;LS-67714;2,3,4,5,6-Pentabromo-1-(2-propenyloxy)benzene;3-06-00-00768 (Beilstein Handbook Reference);Q27256723

Chemical Property of Allyl pentabromophenyl ether

Chemical Property:

• Vapor Pressure: 6.91E-07mmHg at 25°C
• Refractive Index: 1.5000 (estimate)
• Boiling Point: 420.4°Cat760mmHg
• Flash Point: 173.9°C
• PSA: 9.23000
• Density: 2.376g/cm³
• LogP: 6.06390
• XLogP3: 6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 527.62163
• Heavy Atom Count: 15
• Complexity: 209

Purity/Quality:

99% ^*data from raw suppliers

ALLYL PENTABROMOPHENYL ETHER Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCOC1=C(C(=C(C(=C1Br)Br)Br)Br)Br

Technology Process of Allyl pentabromophenyl ether

There total 2 articles about Allyl pentabromophenyl 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:

phenol (108-95-2,27073-41-2) → allyl-pentabromophenyl ether (3555-11-1)

Guidance literature:

Multi-step reaction with 2 steps

1: aluminium; bromine

2: K₂CO₃; acetone

With bromine; potassium carbonate; acetone; aluminium;

DOI:10.1021/ja01354a034

Reference yield:

Pentabromophenol (608-71-9) + allyl bromide (106-95-6) → allyl-pentabromophenyl ether (3555-11-1)

Guidance literature:

With potassium carbonate; acetone;

DOI:10.1021/ja01354a034

Reference yield:

allyl-pentabromophenyl ether (3555-11-1) → (2,3-dibromo-propyl)-pentabromophenyl ether (32577-34-7)

Guidance literature:

With chloroform; bromine; sodium acetate;

DOI:10.1021/ja01354a034

upstream raw materials:

Pentabromophenol

allyl bromide

phenol

Downstream raw materials:

(2,3-dibromo-propyl)-pentabromophenyl ether