Hexabromobenzene

Base Information

• Chemical Name: Hexabromobenzene
• CAS No.: 87-82-1
• Molecular Formula: C6Br6
• Molecular Weight: 551.49
• Hs Code.: 29039990
• European Community (EC) Number: 201-773-9
• NSC Number: 113975
• UN Number: 3077
• UNII: T01859XWIR
• DSSTox Substance ID: DTXSID1024128
• Nikkaji Number: J3.542D
• Wikipedia: Hexabromobenzene
• Wikidata: Q1616640
• ChEMBL ID: CHEMBL375600
• Mol file: 87-82-1.mol

Synonyms:hexabromobenzene

Chemical Property of Hexabromobenzene

Chemical Property:

• Appearance/Colour: white crystalline powder
• Melting Point: 300 °C(lit.)
• Refractive Index: 1.7040 (estimate)
• Boiling Point: 417.5 °C at 760 mmHg
• Flash Point: 199.6 °C
• PSA: 0.00000
• Density: 2.956 g/cm³
• LogP: 6.26160
• Storage Temp.: APPROX 4°C
• Solubility.: chloroform: soluble10mg/mL
• Water Solubility.: 0.11ug/L(25 oC)
• XLogP3: 6.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 551.50388
• Heavy Atom Count: 12
• Complexity: 104
• Transport DOT Label: Class 9

Purity/Quality:

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

Hexabromobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): A poison.
• Hazard Codes: Xn,N,F
• Statements: 20/21/22-36/37/38-67-65-50/53-38-11
• Safety Statements: 26-36/37-62-61-60

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Halogenated Monoaromatics
• Canonical SMILES: C1(=C(C(=C(C(=C1Br)Br)Br)Br)Br)Br
• Uses: Hexabromobenzene is a flame retardant and a standard for environmental testing and research. The porphyrinogenic potential of hexabromobenzene (HBB) with hexachlorobenzene was studied in the liver of primiparous rats.

Technology Process of Hexabromobenzene

There total 94 articles about Hexabromobenzene 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: 99.0%

benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → hexabromobenzene (87-82-1)

Guidance literature:

With aluminum tri-bromide; bromine; for 3h; Heating;

Reference yield: 97.0%

2,4-dinitrobromobenzene (584-48-5) → hexabromobenzene (87-82-1) + 1,2-dibromo-3,5-dinitrobenzene (96558-80-4) + pentabromonitrobenzene (22230-46-2)

Guidance literature:

With sulfuric acid; bromine; nitric acid; at 80 - 85 ℃;

Reference yield: 91.0%

1,2,3,3,5,5-Hexachloro-4-dichloromethylene-cyclopentene (3424-05-3) → hexabromobenzene (87-82-1)

Guidance literature:

With bromine; In neat (no solvent); for 168h;

DOI:10.1039/c5nj00476d

upstream raw materials:

ethanol

carbon tetrabromide

1,3,5-trisbromobenzene

cyclohexane

Downstream raw materials:

hexakis(phenylsulfanyl)benzene

1,2,4,5-tetrabromobenzene

1,2-dibromo-hexafluoro-cyclohexa-1,3-diene

1,1,2-Trifluor-2-pentabromphenyl-ethylen

Refernces

• 1、 Patel, Dipti,Wooles, Ashley J.,Hashem, Emtithal,Omorodion, Harrison,Baker, Robert J.,Liddle, Stephen T.. "Comments on reactions of oxide derivatives of uranium with hexachloropropene to give UCl4". supporting information. p. 7559 - 7562. Retrieved 2015/10/12.
• 2、 Golounin, A. V.,Shukhta, T. K.,Kirienko, E. K.,Petrova, M. P.,Esavkin, E. V.. "PERBROMINATION OF BENZENE AND SOME OF ITS DERIVATIVES". . p. 1167 - 1169. Retrieved 2007/10/02.