Heptane, 1-chloro-3-methyl-

Base Information

• Chemical Name: Heptane, 1-chloro-3-methyl-
• CAS No.: 2350-21-2
• Deprecated CAS: 128399-57-5
• Molecular Formula: C₈H₁₇Cl
• Molecular Weight: 148.676
• Hs Code.: 2903199000
• DSSTox Substance ID: DTXSID50275988,DTXSID90883829
• Nikkaji Number: J421.608C
• Mol file: 2350-21-2.mol

Synonyms:Heptane, 1-chloro-3-methyl-;1-chloro-3-methylheptane;2350-21-2;SCHEMBL18107480;DTXSID50275988;DTXSID90883829;AKOS006383360;128399-57-5

Chemical Property of Heptane, 1-chloro-3-methyl-

Chemical Property:

• Vapor Pressure: 1.69mmHg at 25°C
• Melting Point: -41.9°C (estimate)
• Refractive Index: 1.4183 (estimate)
• Boiling Point: 173.4°C at 760 mmHg
• Flash Point: 52.5°C
• PSA: 0.00000
• Density: 0.862g/cm³
• LogP: 3.44160
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 5
• Exact Mass: 148.1018782
• Heavy Atom Count: 9
• Complexity: 52.5

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(C)CCCl

Technology Process of Heptane, 1-chloro-3-methyl-

There total 1 articles about Heptane, 1-chloro-3-methyl- 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-methylheptane-1-ol (1070-32-2) → 1-Chlor-3-methyl-heptan (2350-21-2,128399-57-5)

Guidance literature:

With thionyl chloride; N,N-dimethyl-aniline;

DOI:10.1039/jr9650003228

upstream raw materials:

3-methylheptane-1-ol