6-Phenoxyhexyl bromide

Base Information

• Chemical Name: 6-Phenoxyhexyl bromide
• CAS No.: 51795-97-2
• Molecular Formula: C12H17BrO
• Molecular Weight: 257.17
• Hs Code.: 2909309090
• European Community (EC) Number: 809-245-5
• DSSTox Substance ID: DTXSID60199681
• Nikkaji Number: J142.375D
• Wikidata: Q83072614
• Mol file: 51795-97-2.mol

Synonyms:6-Phenoxyhexyl bromide;51795-97-2;1-Bromo-6-phenoxyhexane;6-bromohexoxybenzene;((6-Bromohexyl)oxy)benzene;(6-bromohexyloxy)benzene;Benzene, [(6-bromohexyl)oxy]-;Benzene, ((6-bromohexyl)oxy)-;51745-97-2;[(6-Bromohexyl)oxy]benzene;6-Bromohexyl Phenyl Ether;6-phenoxy-1-bromohexane;[(6-Bromohexyl)oxy]benzene #;Benzene,[(6-bromohexyl)oxy]-;SCHEMBL1171574;DTXSID60199681;Phenol, O-[6-bromo-n-hexyl]-;BCA79597;MFCD00039205;AKOS013605284;AS-58815;CS-0453200;FT-0640028;P1848;D92168

Chemical Property of 6-Phenoxyhexyl bromide

Chemical Property:

• Vapor Pressure: 0.000602mmHg at 25°C
• Refractive Index: 1.522
• Boiling Point: 320.3°C at 760 mmHg
• Flash Point: 126.2°C
• PSA: 9.23000
• Density: 1.229g/cm³
• LogP: 4.02070
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 7
• Exact Mass: 256.04628
• Heavy Atom Count: 14
• Complexity: 122

Purity/Quality:

97% ^*data from raw suppliers

6-Phenoxyhexyl Bromide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)OCCCCCCBr

Technology Process of 6-Phenoxyhexyl bromide

There total 17 articles about 6-Phenoxyhexyl 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: 90.4%

1 ,6-dibromohexane (629-03-8) + phenol (108-95-2,27073-41-2) → 6-bromohexyloxybenzene (51795-97-2)

Guidance literature:

With 18-crown-6 ether; potassium carbonate; In acetone; for 24h; Heating;

DOI:10.1016/S0968-0896(98)00175-8

Reference yield: 88.0%

1-bromo-6-hexanol (4286-55-9) + phenol (108-95-2,27073-41-2) → 6-bromohexyloxybenzene (51795-97-2)

Guidance literature:

With di-isopropyl azodicarboxylate; triphenylphosphine; In tetrahydrofuran; at 0 - 20 ℃; Inert atmosphere;

Reference yield: 77.0%

1 ,6-dibromohexane (629-03-8) → 6-bromohexyloxybenzene (51795-97-2)

Guidance literature:

With sodium phenoxide;

upstream raw materials:

1 ,6-dibromohexane

sodium phenoxide

6-phenoxyhexan-1-ol

phenol

Downstream raw materials:

ethyl 7-(phenoxy)heptanoate

dimethyl-(6-phenoxy-hexyl)-amine

diethyl 2-(6-phenoxyhexyl)propanedioate

7-phenoxy-heptanoic acid