Cyclohexane, 1,4-bis(chloromethyl)-

Base Information

• Chemical Name: Cyclohexane, 1,4-bis(chloromethyl)-
• CAS No.: 824-93-1
• Molecular Formula: C8H14Cl2
• Molecular Weight: 181.1028
• European Community (EC) Number: 875-476-3
• NSC Number: 83569
• DSSTox Substance ID: DTXSID8061181
• Nikkaji Number: J421.535D
• Mol file: 824-93-1.mol

Synonyms:1,4-bis(chloromethyl)cyclohexane;824-93-1;Cyclohexane, 1,4-bis(chloromethyl)-;NSC 83569;NSC83569;C8H14Cl2;SCHEMBL1977510;C8-H14-Cl2;DTXSID8061181;SCHEMBL10907448;SCHEMBL24197651;Cyclohexane,4-bis(chloromethyl)-;NSC-83569;AKOS006286888;EN300-182749

Chemical Property of Cyclohexane, 1,4-bis(chloromethyl)-

Chemical Property:

• Vapor Pressure: 0.0574mmHg at 25°C
• Boiling Point: 240.9°Cat760mmHg
• Flash Point: 109.5°C
• PSA: 0.00000
• Density: 1.056g/cm³
• LogP: 3.27040
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 180.0472558
• Heavy Atom Count: 10
• Complexity: 73.3

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(CCC1CCl)CCl

Technology Process of Cyclohexane, 1,4-bis(chloromethyl)-

There total 3 articles about Cyclohexane, 1,4-bis(chloromethyl)- 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: 92.0%

bis-1,4-(hydroxymethyl)cyclohexane (105-08-8) → cyclohexane-1,4-dimethyl chloride (824-93-1)

Guidance literature:

With pyridine; thionyl chloride; Heating;

Reference yield: 87.0%

→ 1,4-bis-[2-isocyanatoethyl]-cyclohexane + cyclohexane-1,4-dimethyl chloride (824-93-1)

Guidance literature:

Reference yield:

1,4-Cyclohexanediyldimethylene bis(chloroformate) (2916-24-7) → cyclohexane-1,4-dimethyl chloride (824-93-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 4 h / 3 - 6 °C

2: 90 percent / dimethylformamide / 2 h / 60 - 70 °C

In N,N-dimethyl-formamide;

DOI:10.1021/jo00163a047

upstream raw materials:

bis-1,4-(hydroxymethyl)cyclohexane

1,4-Cyclohexanediyldimethylene bis(chloroformate)