1-(Trichloromethyl)cyclohexan-1-ol

Base Information

• Chemical Name: 1-(Trichloromethyl)cyclohexan-1-ol
• CAS No.: 3508-84-7
• Molecular Formula: C7H11 Cl3 O
• Molecular Weight: 217.523
• Hs Code.: 2906199090
• European Community (EC) Number: 222-509-9
• NSC Number: 34260
• UNII: TN2KH7FE7Q
• DSSTox Substance ID: DTXSID10188580
• Nikkaji Number: J216.161C
• Wikidata: Q83060388
• Mol file: 3508-84-7.mol

Synonyms:1-(Trichloromethyl)cyclohexan-1-ol;1-(trichloromethyl)cyclohexanol;3508-84-7;EINECS 222-509-9;NSC-34260;NSC34260;TN2KH7FE7Q;C7H11Cl3O;SCHEMBL1119418;C7-H11-Cl3-O;DTXSID10188580;1-(Trichloromethyl)-1-cyclohexanol;Cyclohexanol, 1-(trichloromethyl)-;NSC 34260;AKOS024332824

Chemical Property of 1-(Trichloromethyl)cyclohexan-1-ol

Chemical Property:

• Vapor Pressure: 0.000952mmHg at 25°C
• Boiling Point: 269.6°Cat760mmHg
• Flash Point: 116.9°C
• PSA: 20.23000
• Density: 1.424g/cm³
• LogP: 3.05180
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 215.987548
• Heavy Atom Count: 11
• Complexity: 135

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)(C(Cl)(Cl)Cl)O

Technology Process of 1-(Trichloromethyl)cyclohexan-1-ol

There total 11 articles about 1-(Trichloromethyl)cyclohexan-1-ol 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: 84.0%

chloroform (67-66-3,8013-54-5) + cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) → 1-(trichloromethyl)cyclohexan-1-ol (3508-84-7)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; for 24h;

DOI:10.1021/jo000584n

Reference yield: 20.0%

tetrachloromethane (56-23-5) + cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) → 1-(trichloromethyl)cyclohexan-1-ol (3508-84-7)

Guidance literature:

With tetra-(n-butyl)ammonium iodide; N,N-dimethyl-formamide; electrochemical reaction;

Reference yield:

trimethyl[(1-(trichloromethyl)cyclohexyl)oxy]silane (85695-30-3) → 1-(trichloromethyl)cyclohexan-1-ol (3508-84-7)

Guidance literature:

With aq. acid; acid;

DOI:10.1016/S0040-4039(00)98426-0

upstream raw materials:

chloroform

cyclohexanone

tetrachloromethane

trichloromethyl lithium

Downstream raw materials:

chloro-(2,2,2-trichloro-1,1-dimethyl-ethoxy)-(1-trichloromethyl-cyclohexyloxy)-phosphine

2-chlorocycloheptanone

1-chlorocyclohexanecarboxylic acid

1-Methoxy-1-trichlormethyl-cyclohexan