1-Bromo-6-chlorohexane

Base Information

• Chemical Name: 1-Bromo-6-chlorohexane
• CAS No.: 6294-17-3
• Molecular Formula: C6H12BrCl
• Molecular Weight: 199.518
• Hs Code.: 29033990
• European Community (EC) Number: 228-555-6
• NSC Number: 9249
• DSSTox Substance ID: DTXSID5064205
• Nikkaji Number: J42.322J
• Wikidata: Q72452696
• Mol file: 6294-17-3.mol

Synonyms:1-Bromo-6-chlorohexane;6294-17-3;Hexane, 1-bromo-6-chloro-;6-Chlorohexyl bromide;1-Chloro-6-bromohexane;Hexyl bromide, 6-chloro-;C6H12BrCl;6-Bromohexyl Chloride;1-bromo-6-chloro-hexane;NSC 9249;EINECS 228-555-6;MFCD00001019;NSC9249;1-bromo-6-chloro hexane;C6-H12-Br-Cl;SCHEMBL338958;1-Bromo-6-chlorohexane, 95%;DTXSID5064205;JTYUIAOHIYZBPB-UHFFFAOYSA-;NSC-9249;AC1307;AKOS015903487;CS-W010503;HY-W009787;AS-18856;SY049099;B1998;FT-0607521;EN300-138079;1-Bromo-6-chlorohexane, purum, >=95.0% (GC);F0001-1706

Chemical Property of 1-Bromo-6-chlorohexane

Chemical Property:

• Vapor Pressure: 0.196mmHg at 25°C
• Refractive Index: n20/D 1.481(lit.)
• Boiling Point: 217.4 °C at 760 mmHg
• Flash Point: 101.1 °C
• PSA: 0.00000
• Density: 1.311 g/cm³
• LogP: 3.18050
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 5
• Exact Mass: 197.98109
• Heavy Atom Count: 8
• Complexity: 39.5

Purity/Quality:

≥98% ^*data from raw suppliers

1-Bromo-6-chlorohexane ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 23-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCCBr)CCCl
• Uses: 1-Bromo-6-chlorohexane was used in the synthesis of zinc reagent by reacting with Mg turnings in the presence of ZnCl2 and LiCl.

Technology Process of 1-Bromo-6-chlorohexane

There total 8 articles about 1-Bromo-6-chlorohexane 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: 96.0%

6-chloro-1-hexanol (2009-83-8) → 1-bromo-6-chlorohexane (6294-17-3)

Guidance literature:

6-chloro-1-hexanol; With diisopropyl-carbodiimide; copper(II) bis(trifluoromethanesulfonate); In tetrahydrofuran; at 100 ℃; for 0.0833333h; microwave irradiation;

With Acetyl bromide; In tetrahydrofuran; at 150 ℃; for 0.0833333h; Further stages.; microwave irradiation;

DOI:10.1039/b211424k

Reference yield: 34.0%

1,6-hexanediol (629-11-8) → 1-bromo-6-chlorohexane (6294-17-3) + 6-chloro-1-hexanol (2009-83-8)

Guidance literature:

With hydrogenchloride; sodium hydroxide; zinc(II) chloride;

Reference yield:

1-bromo-6-hexanol (4286-55-9) → 1-bromo-6-chlorohexane (6294-17-3)

Guidance literature:

With thionyl chloride; N,N-dimethyl-formamide; at 65 - 109 ℃; for 1.25h; Yield given;

DOI:10.1021/jo00088a055

upstream raw materials:

6-chloro-1-hexanol

1-Chlorohexane

1-bromo-6-hexanol

1,6-hexanediol

Downstream raw materials:

6-chlorohexene

8-chloro-oct-1-yne

5-[6-(4-hydroxypiperidinyl)hexoxy]-2-phenyl-4H-1-benzopyran-4-one

3-(6-chlorohexyl)cyclohexanone