1-Bromo-7-chloroheptane

Base Information

• Chemical Name: 1-Bromo-7-chloroheptane
• CAS No.: 68105-93-1
• Molecular Formula: C7H14BrCl
• Molecular Weight: 213.545
• European Community (EC) Number: 679-581-3
• DSSTox Substance ID: DTXSID50470259
• Wikidata: Q82298286
• Mol file: 68105-93-1.mol

Synonyms:1-Bromo-7-chloroheptane;68105-93-1;Heptane, 1-bromo-7-chloro-;SCHEMBL8786482;DTXSID50470259;ZMAOWMBSLZYILL-UHFFFAOYSA-N;MFCD00270371;AKOS015836192;B3537;D89022

Chemical Property of 1-Bromo-7-chloroheptane

Chemical Property:

• Vapor Pressure: 0.055mmHg at 25°C
• Refractive Index: 1.4790-1.4830
• Boiling Point: 241.662°C at 760 mmHg
• Flash Point: 124.984°C
• PSA: 0.00000
• Density: 1.266g/cm³
• LogP: 3.57060
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 6
• Exact Mass: 211.99674
• Heavy Atom Count: 9
• Complexity: 48.2

Purity/Quality:

97% ^*data from raw suppliers

1-Bromo-7-chloroheptane ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCCCl)CCCBr
• Uses: 1-Bromo-7-chloroheptane is used in manufacturing amino silane-based compound.

Technology Process of 1-Bromo-7-chloroheptane

There total 1 articles about 1-Bromo-7-chloroheptane 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:

7-chloroheptanoic acid (821-57-8) → 1-bromo-7-chloroheptane (68105-93-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 89 percent / LiAlH₄ / tetrahydrofuran / 2 h / -10 - 15 °C

2: 86 percent / HBr / 1 h / 100 - 110 °C

With lithium aluminium tetrahydride; hydrogen bromide; In tetrahydrofuran;

Reference yield: 88.0%

1-bromo-7-chloroheptane (68105-93-1) + thiophenol (108-98-5) → (7-chloroheptyl)(phenyl)sulfide

Guidance literature:

With potassium carbonate; In dimethyl sulfoxide; at 20 - 50 ℃; for 2h; Inert atmosphere;

DOI:10.1021/jacs.7b03087

Reference yield: 64.5%

1-bromo-7-chloroheptane (68105-93-1) + 6-(4-chlorophenyl)-1-methyl-8-(1H-pyrazol-4-yl)spiro[benzo[f] [1,2,4]triazolo[4,3-a][1,4]diazepine-4,1’-cyclopropane] → 8-(1-(7-chloroheptyl)-1H-pyrazol-4-yl)-6-(4-chlorophenyl)-1-methylspiro[benzo[f][1,2,4]triazolo[4,3-a][1,4]diazepine-4,1’-cyclopropane]

Guidance literature:

With caesium carbonate; In N,N-dimethyl-formamide; at 20 ℃;

upstream raw materials:

7-chloroheptanoic acid

Downstream raw materials:

9-chlorononanoic acid

1,18-cis-9,12-octadecadienedioic acid

(6Z,9Z)-17-chloro-heptadeca-6,9-diene

2-hydroxy-3-(8-cyclohexyloctyl)-1,4-naphthoquinone