2,2-Dibromohexane

Base Information

• Chemical Name: 2,2-Dibromohexane
• CAS No.: 116530-77-9
• Molecular Formula: C6H12 Br2
• Molecular Weight: 243.969
• DSSTox Substance ID: DTXSID60603854
• Wikidata: Q82501427
• Mol file: 116530-77-9.mol

Synonyms:2,2-Dibromohexane;116530-77-9;2,2-DIBROMOHEXANE,=98per cent;SCHEMBL1666353;DTXSID60603854;AKOS015915068

Chemical Property of 2,2-Dibromohexane

Chemical Property:

• Refractive Index: 1.5035 (estimate)
• Boiling Point: 207.32°C (estimate)
• PSA: 0.00000
• Density: 1.6487 (estimate)
• LogP: 3.68260
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 243.92853
• Heavy Atom Count: 8
• Complexity: 59.5

Purity/Quality:

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

2,2-DIBROMOHEXANE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(C)(Br)Br

Technology Process of 2,2-Dibromohexane

There total 7 articles about 2,2-Dibromohexane 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:

hex-1-yne (693-02-7) → 2,2-dibromo-hexane (116530-77-9)

Guidance literature:

With hydrogen bromide; hydroquinone; iron(II) bromide; at 15 ℃;

Reference yield:

2-bromohex-1-ene (3017-66-1) → 2,2-dibromo-hexane (116530-77-9) + 1,2-dibromohexane (624-20-4)

Guidance literature:

With hydrogen bromide; hydroquinone; iron(II) bromide; benzene; at 23 ℃;

DOI:10.1021/ja01300a089

Reference yield:

hex-1-yne (693-02-7) → 2,2-dibromo-hexane (116530-77-9) + 2-bromohex-1-ene (3017-66-1) + 1-bromohexene (13154-12-6,13154-13-7,57855-22-8)

Guidance literature:

at 15 ℃; bei Ausschluss von Peroxyden;

upstream raw materials:

2-bromohex-1-ene

hydroquinone

hex-1-yne

toluene

Downstream raw materials:

n-hexan-2-one

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