(3-Chloropropyl)cyclohexane

Base Information

• Chemical Name: (3-Chloropropyl)cyclohexane
• CAS No.: 1124-62-5
• Molecular Formula: C9H17Cl
• Molecular Weight: 160.687
• Hs Code.: 2903890090
• European Community (EC) Number: 214-399-6
• UNII: 6BJK2UX42J
• DSSTox Substance ID: DTXSID80150032
• Nikkaji Number: J203.363A
• Wikidata: Q83015941
• Mol file: 1124-62-5.mol

Synonyms:(3-Chloropropyl)cyclohexane;1124-62-5;3-chloropropylcyclohexane;3-cyclohexylpropyl chloride;1-CHLORO-3-CYCLOHEXYLPROPANE;Cyclohexane, (3-chloropropyl)-;6BJK2UX42J;3-Cyclohexyl-1-chloropropane;Cyclohexane,(3-chloropropyl)-;EINECS 214-399-6;chloropropylcyclohexane;UNII-6BJK2UX42J;SCHEMBL633220;DTXSID80150032;AKOS009158661;EN300-675138

Chemical Property of (3-Chloropropyl)cyclohexane

Chemical Property:

• Appearance/Colour: Clear colourless to slightly yellow liquid
• Vapor Pressure: 0.178mmHg at 25°C
• Melting Point: -52.8°C
• Refractive Index: 1.453
• Boiling Point: 219.2 °C at 760 mmHg
• Flash Point: 78.9 °C
• PSA: 0.00000
• Density: 0.934 g/cm³
• LogP: 3.58570
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 160.1018782
• Heavy Atom Count: 10
• Complexity: 74.8

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-CYCLOHEXYLPROPYL CHLORIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)CCCCl

Technology Process of (3-Chloropropyl)cyclohexane

There total 3 articles about (3-Chloropropyl)cyclohexane 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:

(1R)-3-chloro-1-phenylpropanol (100306-33-0,125712-82-5) → 3-cyclohexylpropyl chloride (1124-62-5) + (R)-1-cyclohexylpropan-1-ol (38636-38-3) + (1R)-3-chloro-1-cyclohexylpropanol (263381-42-6)

Guidance literature:

With hydrogen; Rh/Al₂O₃; In methanol; for 6.5h; under 3361.46 Torr;

DOI:10.1016/S0968-0896(02)00016-0

Reference yield:

3-chloropropyl p-toluenesulfonate (632-02-0) + cyclohexylmagnesium bromide (931-50-0) → 3-cyclohexylpropyl chloride (1124-62-5)

Guidance literature:

With diethyl ether;

Reference yield:

cyclohexane (110-82-7,25012-93-5) + 3-chloroprop-1-ene (107-05-1) → 3-cyclohexylpropyl chloride (1124-62-5)

Guidance literature:

With di-tert-butyl peroxide;

DOI:10.1007/BF00905363

upstream raw materials:

3-chloropropyl p-toluenesulfonate

cyclohexylmagnesium bromide

cyclohexane

3-chloroprop-1-ene

Downstream raw materials:

N-[3-cyclohexylprop-1-yl]phthalimide

3-cyclohexyl-1-iodopropane