2-Chlorocyclohexanol

Base Information

• Chemical Name: 2-Chlorocyclohexanol
• CAS No.: 1561-86-0
• Molecular Formula: C6H11ClO
• Molecular Weight: 134.606
• Hs Code.: 29061900
• European Community (EC) Number: 216-339-4
• DSSTox Substance ID: DTXSID10871167
• Nikkaji Number: J206.794C
• Wikidata: Q69999994
• Mol file: 1561-86-0.mol

Synonyms:2-CHLOROCYCLOHEXANOL;1561-86-0;2-chlorocyclohexan-1-ol;Cyclohexanol, 2-chloro-;EINECS 216-339-4;AI3-61848;Cyclohexene Chlorohydrin;2-Chlor-cyclohexanol;2-chloro-cyclohexanol;2-chloro-cyclohexan-1-ol;SCHEMBL1766614;DTXSID10871167;BAA56186;MFCD00003860;AKOS005206820;CS-W016535;AS-57889;2-Chlorocyclohexanol, technical grade, 90%;FT-0611937;D71128;J-009281

Chemical Property of 2-Chlorocyclohexanol

Chemical Property:

• Appearance/Colour: clear colourless to light yellow liquid
• Vapor Pressure: 0.027mmHg at 25°C
• Melting Point: 29 °C
• Refractive Index: n20/D 1.488(lit.)
• Boiling Point: 218.3 °C at 760 mmHg
• PKA: 14.30±0.40(Predicted)
• Flash Point: 70 °C
• PSA: 20.23000
• Density: 1.12 g/cm³
• LogP: 1.52870
• Storage Temp.: Sealed in dry,Room Temperature
• 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: 74.9

Purity/Quality:

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

2-Chlorocyclohexanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 24/25-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1CCC(C(C1)O)Cl

Technology Process of 2-Chlorocyclohexanol

There total 31 articles about 2-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: 98.0%

1,2-Cyclohexanediol (931-17-9) → 2-chlorocyclohexanol (1561-86-0)

Guidance literature:

With 1,3,5-trichloro-2,4,6-triazine; N,N-dimethyl-formamide; In dichloromethane; at 25 ℃; for 0.25h;

DOI:10.1021/ol017168p

Reference yield: 76.0%

cyclohexene (110-83-8) → 2-chlorocyclohexanol (1561-86-0)

Guidance literature:

cyclohexene; With 3,3-dimethyldioxirane; In acetone; at 20 ℃; for 8h;

With Amberlyst 15; sodium chloride; In acetone; at 20 ℃; for 12h;

DOI:10.1016/S0040-4039(99)01213-7

Reference yield: 34.0%

cyclohexene (110-83-8) → bicyclohexyl-2,2'-diene (1541-20-4) + 1,2-dichlorocyclohexane (1121-21-7) + 2-chlorocyclohexanol (1561-86-0) + cyclohexane-1,2-epoxide (286-20-4) + cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) + Cyclohex-2-enol (822-67-3)

Guidance literature:

With potassium hexachloropalatinate(IV); dihydroxo[tetraphenylporphyrinato]antimony(V) hexafluorophosphate; water; In acetonitrile; for 1h; Product distribution; Mechanism; Irradiation; various reaction conditions;

DOI:10.1021/ja971371r

upstream raw materials:

chlorosulfurous acid-(2-chloro-cyclohexyl ester)

chlorourea

acetic acid

cyclohexene

Downstream raw materials:

cyclohexane-1,2-epoxide

2-[4-(2,4-Dichloro-phenoxy)-phenoxy]-propionic acid 2-chloro-cyclohexyl ester

2-[1-(9H-Fluoren-2-yl)-ethylsulfanyl]-cyclohexanol

2-[4-(4-Chloro-phenoxy)-phenoxy]-propionic acid 2-chloro-cyclohexyl ester

Refernces

• 1、 Cong, Zhiqi,Kurahashi, Takuya,Fujii, Hiroshi. "Formation of iron(III) meso-chloro-isoporphyrin as a reactive chlorinating agent from oxoiron(IV) porphyrin π-cation radical". . p. 4469 - 4472. Retrieved 2012.
• 2、 Liu, Shouxin,Zhang, Qi,Tian, Xia,Fan, Shiming,Huang, Jing,Whiting, Andrew. "Highly selective halogenation of unactivated C(sp3)-H with NaX under co-catalysis of visible light and Ag@AgX". . p. 4729 - 4737. Retrieved 2018/10/23.
• 3、 -. "Method for preparing o-chlorocyclohexanone by using cyclohexanone by-product lightweight oil". Paragraph 0016; 0017; 0018; 0019; 0020. . Retrieved 2018/04/01.