4-Chlorocyclohexanol

Base Information

• Chemical Name: 4-Chlorocyclohexanol
• CAS No.: 29538-77-0
• Molecular Formula: C6H11 Cl O
• Molecular Weight: 134.606
• Hs Code.: 2906199090
• European Community (EC) Number: 805-059-3
• DSSTox Substance ID: DTXSID40184555,DTXSID901031186
• Nikkaji Number: J1.055.227C,J1.070.548G,J101.148K
• Mol file: 29538-77-0.mol

Synonyms:4-Chlorocyclohexanol;30485-71-3;4-chlorocyclohexan-1-ol;1-Chloro-4-Hydroxycyclohexane;29538-77-0;trans-4-Chloro-cyclohexanol;trans-4-Chlorocyclohexanol;Cyclohexanol, 4-chloro-, trans-;Cyclohexanol, 4-chloro-;4-Chlorocyclohexanol #;cis-4-chlorocyclohexanol;(E)-4-Chlorocyclohexanol;trans--4-Chlorocyclohexanol;4-hydroxy-cyclohexyl chloride;SCHEMBL1766740;SCHEMBL10542869;SCHEMBL10543208;DTXSID40184555;4beta-Chlorocyclohexane-1alpha-ol;HVPIAXWCSPHTAY-OLQVQODUSA-N;4alpha-Chlorocyclohexane-1alpha-ol;DTXSID901031186;trans-4-hydroxy-cyclohexyl chloride;MFCD00038713;AKOS006228549;SB84297;Rel-(1r,4r)-4-chlorocyclohexan-1-ol;CS-0032779;CS-0497684;FT-0618212;A820401

Chemical Property of 4-Chlorocyclohexanol

Chemical Property:

• PSA: 20.23000
• LogP: 1.52870
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 134.0498427
• Heavy Atom Count: 8
• Complexity: 66.9

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(CCC1O)Cl

Technology Process of 4-Chlorocyclohexanol

There total 6 articles about 4-Chlorocyclohexanol 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:

7-oxabicyclo(2.2.1)heptane (279-49-2) → trans-4-hydroxycyclohexyl chloride (29538-77-0)

Guidance literature:

With hydrogenchloride; at 25 ℃;

DOI:10.1021/ja01140a024

Reference yield:

1,4-Cyclohexanediol (556-48-9) → trans-4-hydroxycyclohexyl chloride (29538-77-0)

Guidance literature:

Multi-step reaction with 2 steps

1: aluminium oxide / 240 °C

2: HCl / 150 °C

With hydrogenchloride; aluminum oxide;

DOI:10.1021/ja01154a515

Reference yield:

7-oxabicyclo(2.2.1)heptane (279-49-2) + hydrogenchloride (7647-01-0,15364-23-5) → trans-4-hydroxycyclohexyl chloride (29538-77-0)

Guidance literature:

DOI:10.1021/ja01154a515

upstream raw materials:

7-oxabicyclo(2.2.1)heptane

hydrogenchloride

1,4-Cyclohexanediol

Downstream raw materials:

4-chlorocyclohexene

1,4-cis-dichlorocyclohexane

7-oxabicyclo(2.2.1)heptane

3-cyclohexen-1-ol