Pentabromobenzyl bromide

Base Information

• Chemical Name: Pentabromobenzyl bromide
• CAS No.: 38521-51-6
• Molecular Formula: C7H2 Br6
• Molecular Weight: 565.517
• Hs Code.: 2903999090
• European Community (EC) Number: 253-985-6
• DSSTox Substance ID: DTXSID00959387
• Nikkaji Number: J294.688B
• Wikidata: Q82940113
• Mol file: 38521-51-6.mol

Synonyms:pentabromobenzyl bromide;38521-51-6;1,2,3,4,5-pentabromo-6-(bromomethyl)benzene;EINECS 253-985-6;2,3,4,5,6-PENTABROMOBENZYL BROMIDE;2,3,4,5,6,alpha-Hexabromotoluene;1,2,3,4,5-pentabromo-6-(bromomethyl)cyclohexane;pentabromobenzylbromide;C7H2Br6;YSWG494;SCHEMBL180611;C7-H2-Br6;2,3,4,5,6,-Hexabromotoluene;DTXSID00959387;Benzene, pentabromo(bromomethyl)-;PYOIYKRKAHYOKO-UHFFFAOYSA-N;AKOS024427558;1-BROMOMETHYL-2,3,4,5,6-PENTABROMOBENZENE;W-110907

Chemical Property of Pentabromobenzyl bromide

Chemical Property:

• Vapor Pressure: 3.19E-08mmHg at 25°C
• Boiling Point: 460.4°Cat760mmHg
• Flash Point: 224°C
• PSA: 0.00000
• Density: 2.829g/cm³
• LogP: 6.39400
• XLogP3: 5.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 565.51953
• Heavy Atom Count: 13
• Complexity: 158

Purity/Quality:

98%min ^*data from raw suppliers

1-BROMOMETHYL-2,3,4,5,6-PENTABROMOBENZENE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C(C1=C(C(=C(C(=C1Br)Br)Br)Br)Br)Br

Technology Process of Pentabromobenzyl bromide

There total 4 articles about Pentabromobenzyl bromide 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%

pentabromotoluene (87-83-2,26101-97-3) → 2,3,4,5,6-pentabromobenzyl bromide (38521-51-6)

Guidance literature:

With bromine; In tetrachloromethane; for 1h; Irradiation; mercury medium pressure lamps;

DOI:10.1002/hlca.19830660329

Reference yield:

2,4,6-Trinitrotoluene (118-96-7) → 2,3,4,5,6-pentabromobenzyl bromide (38521-51-6)

Guidance literature:

With bromine; iodine; at 200 ℃; im Rohr;

DOI:10.1557/JMR.2000.0167

Reference yield:

toluene (108-88-3,15644-74-3,16713-13-6) → 2,3,4,5,6-pentabromobenzyl bromide (38521-51-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 86 percent / Br₂ / 3 h / 0 °C

2: 86 percent / Br₂ / CCl₄ / Heating; Irradiation

With bromine; In tetrachloromethane;

upstream raw materials:

2,4,6-Trinitrotoluene

pentabromotoluene

bromine

iodine

Downstream raw materials:

2,3,4,5,6-pentabromobenzyl alcohol

pentabromobenzyl acrylate

4-nitro-4′-(2′,3″, 4′,5″,6″-pentabromophenylmethyloxy)diphenylethylene

4-nitro-3′,4′-bis(2″,3″,4″,5″,6′-pentabromophenyl-methyloxy)diphenylethylene

Refernces

• 1、 -. "PROCESS FOR THE PREPARATION OF THE MONOMER PENTABROMOBENZYL ACRYLATE AND POLYMERIZATION THEREOF". Paragraph 0049; 0050; 0051; 0052. . Retrieved 2014/05/08.
• 2、 Leduc,Bernier,Escher. "Angiotensin-II analogues. I: Synthesis and incorporation of the halogenated amino acids 3-(4'-iodophenyl)alanine, 3-(3',5'-dibromo-4'-chlorophenyl)alanine, 3-(3',4',5'-tribromophenyl)alanine, and 3-(2',3',4',5',6'-pentabromophenyl)alanine". . p. 960 - 970. Retrieved 2007/10/02.