2-Chloro-4-methylpentane

Base Information

• Chemical Name: 2-Chloro-4-methylpentane
• CAS No.: 25346-32-1
• Deprecated CAS: 128399-30-4
• Molecular Formula: C6H13 Cl
• Molecular Weight: 120.622
• Hs Code.: 2903199000
• DSSTox Substance ID: DTXSID50275887,DTXSID90871347
• Nikkaji Number: J422.162A
• Wikidata: Q82006131
• Mol file: 25346-32-1.mol

Synonyms:2-Chloro-4-methylpentane;25346-32-1;Pentane, 2-chloro-4-methyl-;2-chloro-4-methyl-pentane;SCHEMBL1932366;DTXSID50275887;DTXSID90871347;AKOS009236283;FT-0691621;128399-30-4

Chemical Property of 2-Chloro-4-methylpentane

Chemical Property:

• Vapor Pressure: 20.6mmHg at 25°C
• Melting Point: -35.1°C (estimate)
• Refractive Index: 1.4093
• Boiling Point: 117.7°C at 760 mmHg
• Flash Point: 20.8°C
• PSA: 0.00000
• Density: 0.863g/cm³
• LogP: 2.65980
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 120.0705781
• Heavy Atom Count: 7
• Complexity: 41.4

Purity/Quality:

95%+ or 98%+ ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CC(C)Cl

Technology Process of 2-Chloro-4-methylpentane

There total 11 articles about 2-Chloro-4-methylpentane 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: 60.0%

Methyl isobutyl carbinol (108-11-2,72847-31-5) + malic acid (617-48-1,78644-42-5) → 2-chloro 4-methyl pentane (25346-32-1,128399-30-4)

Guidance literature:

With zinc; at 50 ℃; for 4h;

Reference yield: 54.0%

Methyl isobutyl carbinol (108-11-2,72847-31-5) → 2-chloro 4-methyl pentane (25346-32-1,128399-30-4) + 2-chloro-2-methylpentane (4325-48-8)

Guidance literature:

With mixed metal catalyst derived from Thlaspi; at 25 ℃; for 10h; Reagent/catalyst;

Reference yield: 41.0%

Methyl isobutyl carbinol (108-11-2,72847-31-5) → 2-chloro 4-methyl pentane (25346-32-1,128399-30-4)

Guidance literature:

With pyridine; thionyl chloride;

upstream raw materials:

Methyl isobutyl carbinol

2-ethyl-1-butanol

2-Methylpentane

4-Methyl-1-pentene

Downstream raw materials:

4-methyl-2-pentene

isopropyl radical

propene

1,3-dimethyl butyl radical