1-Bromo-8-chlorooctane

Base Information

• Chemical Name: 1-Bromo-8-chlorooctane
• CAS No.: 28598-82-5
• Molecular Formula: C8H16BrCl
• Molecular Weight: 227.572
• DSSTox Substance ID: DTXSID401314397
• Nikkaji Number: J578.834J
• Mol file: 28598-82-5.mol

Synonyms:1-bromo-8-chlorooctane;28598-82-5;Octane, 1-bromo-8-chloro-;1-bromo-8-chloro-octane;1-chloro-8-broMooctane;SCHEMBL5613629;DTXSID401314397

Chemical Property of 1-Bromo-8-chlorooctane

Chemical Property:

• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 7
• Exact Mass: 226.01239
• Heavy Atom Count: 10
• Complexity: 57.2

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCCCBr)CCCCl

Technology Process of 1-Bromo-8-chlorooctane

There total 6 articles about 1-Bromo-8-chlorooctane 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%

1-chloro-8-fluorooctane (593-14-6) → 1-bromo-8-chloro-octane (28598-82-5)

Guidance literature:

With dibromobis(cyclopentadienyl)titanium(IV); triisobutylaluminum; 1,1-dibromomethane; In hexane; at 20 ℃; for 24h;

DOI:10.1021/acs.orglett.5b02589

Reference yield: 90.2%

8-bromooctanol (50816-19-8) → 1-bromo-8-chloro-octane (28598-82-5)

Guidance literature:

With pyridine; thionyl chloride; In benzene; at 75 ℃; for 7h;

DOI:10.1248/cpb.49.18

Reference yield: 86.0%

1-chloro-8-methanesulfonyloxy-octane → 1-bromo-8-chloro-octane (28598-82-5)

Guidance literature:

With lithium bromide; In acetone; for 16h; Ambient temperature;

upstream raw materials:

Pyridine-2-sulfonic acid 8-chloro-octyl ester

8-bromooctanol

8-chlorooctan-1-ol

1-chloro-8-fluorooctane

Downstream raw materials:

3,6-dimethyl-1,2-di(8-chlorooctoxy)benzene

3,6-dimethyl-4,5-di(8-chlorooctoxy)-1,2-diisocyanobenzene

C₂₆H₄₂Cl₂N₂O₄

3,6-dimethyl-1,2-di(8-chlorooctoxy)benzene