3-Chloro-3-ethylheptane

Base Information

• Chemical Name: 3-Chloro-3-ethylheptane
• CAS No.: 28320-89-0
• Molecular Formula: C9H19Cl
• DSSTox Substance ID: DTXSID50951013
• Wikidata: Q82929244
• Mol file: 28320-89-0.mol

Synonyms:3-Chloro-3-ethylheptane;28320-89-0;3-chloro-3-ethyl-heptane;DTXSID50951013;KLRHBXRASJUOMM-UHFFFAOYSA-N

Chemical Property of 3-Chloro-3-ethylheptane

Chemical Property:

• Vapor Pressure: 0.905mmHg at 25°C
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 5
• Exact Mass: 162.1175283
• Heavy Atom Count: 10
• Complexity: 74.8

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(CC)(CC)Cl

Technology Process of 3-Chloro-3-ethylheptane

There total 2 articles about 3-Chloro-3-ethylheptane 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:

3-ethylheptan-3-ol (19780-41-7) → 3-chloro-3-ethylheptane (28320-89-0)

Guidance literature:

With hydrogenchloride; at -10 ℃;

DOI:10.1097/00005537-200209000-00007

Reference yield:

ethyl n-valerate (539-82-2) → 3-chloro-3-ethylheptane (28320-89-0)

Guidance literature:

Multi-step reaction with 2 steps

2: HCl / -10 °C

With hydrogenchloride;

DOI:10.1097/00005537-200209000-00007

upstream raw materials:

3-ethylheptan-3-ol

ethyl n-valerate