2-Bromohexane

Base Information

• Chemical Name: 2-Bromohexane
• CAS No.: 3377-86-4
• Deprecated CAS: 141126-38-7
• Molecular Formula: C₆H₁₃Br
• Molecular Weight: 165.073
• Hs Code.: 29033919
• European Community (EC) Number: 222-173-3
• UNII: RU9D9G6PF6
• DSSTox Substance ID: DTXSID60871016
• Nikkaji Number: J97.467F
• Wikipedia: 2-Bromohexane
• Wikidata: Q4596866
• Mol file: 3377-86-4.mol

Synonyms:2-BROMOHEXANE;3377-86-4;Hexane, 2-bromo-;2-Hexyl Bromide;RU9D9G6PF6;EINECS 222-173-3;(Dl) 2-Bromohexane;2-bromo-hexane;UNII-RU9D9G6PF6;SCHEMBL125384;(+/-)-2-BROMOHEXANE;NEBYCXAKZCQWAW-UHFFFAOYSA-;DTXSID60871016;1-METHYLPENTAN-1-YL BROMIDE;MFCD00039183;AKOS009156869;B1235;CS-0206476;FT-0611567;D88771;EN300-1259114;Q4596866

Chemical Property of 2-Bromohexane

Chemical Property:

• Appearance/Colour: Clear pale yellow liquid
• Vapor Pressure: 6.54mmHg at 25°C
• Melting Point: -44.22°C (estimate)
• Refractive Index: 1.4430
• Boiling Point: 144 °C at 760 mmHg
• Flash Point: 40.1 °C
• PSA: 0.00000
• Density: 1.169 g/cm³
• LogP: 2.96000
• Storage Temp.: Flammables area
• Water Solubility.: Not miscible in water.
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 164.02006
• Heavy Atom Count: 7
• Complexity: 35.2

Purity/Quality:

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

2-Bromohexane (contains 3-Bromohexane)(stabilized with Copper chip) >70.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R10:Flammable.
• Hazard Codes: R10:Flammable.
• Statements: 10
• Safety Statements: 23-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(C)Br

Technology Process of 2-Bromohexane

There total 27 articles about 2-Bromohexane 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: 88.0%

2-methylhexanoic acid (4536-23-6) → 2-bromohexane (3377-86-4,28941-54-0,62885-28-3)

Guidance literature:

With tetra-N-butylammonium tribromide; dibromoisocyanuric acid; In dichloromethane; at 20 ℃; for 3h; Reagent/catalyst; Time; Concentration; UV-irradiation;

Reference yield: 88.0%

1-hexene (592-41-6,25067-06-5) → 2-bromohexane (3377-86-4,28941-54-0,62885-28-3)

Guidance literature:

With hydrogen bromide; cetyltributylphosphonium bromide; at 70 ℃; for 1h;

DOI:10.1021/jo01305a038

Reference yield: 62.0%

1-bromo-hexane (111-25-1) → 1-hexene (592-41-6,25067-06-5) + 3-bromohexane (3377-87-5) + 2-bromohexane (3377-86-4,28941-54-0,62885-28-3)

Guidance literature:

With hydrogen bromide; tetrabutyl phosphonium bromide; at 200 ℃; for 0.25h; Inert atmosphere;

DOI:10.1021/acscatal.7b01765

upstream raw materials:

n-hexan-2-ol

hexane

ethyl bromide

ethene

Downstream raw materials:

2-chlorohexane

2-methylhexanal

2-hexyl-4'-nitrobenzoate

1-(hexan-2-yl)-4-methylbenzene

Refernces

• 1、 Zhao, Mengdi,Lu, Wenjun. "Catalytic Bromination of Alkyl sp3C-H Bonds with KBr/Air under Visible Light". supporting information. p. 5264 - 5267. Retrieved 2018/09/12.
• 2、 Suzuki, Hideyuki,Nishina, Yuta. "Preparation of manganese/Graphite oxide composite using permanganate and graphite: Application as catalyst in bromination of hydrocarbons". . p. 74 - 78. Retrieved 2017/08/14.