6-Chloro-1-hexanol

Base Information

• Chemical Name: 6-Chloro-1-hexanol
• CAS No.: 2009-83-8
• Molecular Formula: C6H13ClO
• Molecular Weight: 136.622
• Hs Code.: 29055900
• European Community (EC) Number: 217-925-2
• NSC Number: 3700
• UNII: T2HIT6N5UF
• DSSTox Substance ID: DTXSID4049240
• Nikkaji Number: J25.055D
• Wikidata: Q27289579
• ChEMBL ID: CHEMBL2260959
• Mol file: 2009-83-8.mol

Synonyms:6-Chloro-1-hexanol;2009-83-8;6-Chlorohexan-1-ol;6-Chlorohexanol;1-Chloro-6-hydroxyhexane;1-Hexanol, 6-chloro-;Hexamethylene chlorohydrin;1-Chloro-6-hexanol;omega-Chlorohexanol;C6H13ClO;6-chloro-hexan-1-ol;NSC 3700;EINECS 217-925-2;UNII-T2HIT6N5UF;T2HIT6N5UF;BRN 1697307;AI3-61541;DTXSID4049240;NSC-3700;6-Chloro-1-hexyl--d6 Alcohol;MFCD00002984;EC 217-925-2;4-01-00-01704 (Beilstein Handbook Reference);6-chloro-hexanol;1-Chloro-6-hydroxyhexane, 6-Chloro-1-hexanol;NSC3700;6-chlorohexan-1ol;6-chlor-1-hexanol;6-Chlorhexan-1-ol;6-Chlorohexyl alcohol;6-Chlorohexanol, 96%;.OMEGA.-CHLOROHEXANOL;SCHEMBL180131;C6-H13-Cl-O;CHEMBL2260959;DTXCID6029096;AMY25606;CS-B1599;Tox21_202812;AKOS006221644;NCGC00260358-01;AS-11946;LS-75384;SY001629;CAS-2009-83-8;FT-0621022;EN300-97571;D70146;A814241;Q-201200;Q27289579;F0001-0710;-Chlorohexanol

Chemical Property of 6-Chloro-1-hexanol

Chemical Property:

• Appearance/Colour: clear colorless to pale yellow liquid
• Vapor Pressure: 0.0378mmHg at 25°C
• Melting Point: 129-130ºC
• Refractive Index: n20/D 1.456(lit.)
• Boiling Point: 212.8 °C at 760 mmHg
• PKA: 15.17±0.10(Predicted)
• Flash Point: 98.9 °C
• PSA: 20.23000
• Density: 1.001 g/cm³
• LogP: 1.77790
• Storage Temp.: Refrigerator
• Solubility.: Soluble in dimethylformamide.
• Water Solubility.: 11.3g/L at 20℃
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 136.0654927
• Heavy Atom Count: 8
• Complexity: 39.5

Purity/Quality:

99.9% ^*data from raw suppliers

6-Chloro-1-hexanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,img src=/images/Xi.gif alt=Irritant >Xi
• Hazard Codes: Xn,Xi
• Statements: 20/21-36/38-36/37/38-20/21/22
• Safety Statements: 26-36/37-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Halogenated Alcohols
• Canonical SMILES: C(CCCCl)CCO
• Uses: 6-Chloro-1-hexanol is used in the preparation of its corresponding bromide by reaction with sodium bromide using N,N-dimethylformamide and dibromomethane (2:1) as a solvent. It is utilized in the selective elimination of 6-chloro-1-hexene from esters of 6-chloro-1-hexanol.

Technology Process of 6-Chloro-1-hexanol

There total 18 articles about 6-Chloro-1-hexanol 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%

1,6-hexanediol (629-11-8) → 6-chloro-1-hexanol (2009-83-8)

Guidance literature:

With tetrachloromethane; hexacarbonyl molybdenum; at 120 ℃; for 8h;

DOI:10.1134/S1070428006110030

Reference yield: 94.0%

1-(tert-butyl-dimethylsilyloxy)-6-chloro-hexane (59431-24-2) → 6-chloro-1-hexanol (2009-83-8)

Guidance literature:

With titanium tetrachloride; ethyl acetate; In dichloromethane; at 30 ℃; for 0.166667h;

DOI:10.1021/jo0604484

Reference yield: 92.0%

1-chloro-5-hexyne (10297-06-0) → 6-chloro-1-hexanol (2009-83-8)

Guidance literature:

With formic acid; F₆P^(1-)*C₁₆H₂₂N₃Ru⁽¹⁺⁾; water; In 1-methyl-pyrrolidin-2-one; at 25 ℃; for 48h; Inert atmosphere; Sealed tube;

DOI:10.1021/ja501738a

upstream raw materials:

1,6-hexanediol

6-chlorohexanoic acid

oxepane

6-chlorohexene

Downstream raw materials:

7-hydroxyheptanenitrile

6-(methylthio)hexan-1-ol

1-bromo-6-chlorohexane

6-fluoro-hexan-1-ol

Refernces

• 1、 Matsuoka, Keitaro,Komami, Narumi,Kojima, Masahiro,Mita, Tsuyoshi,Suzuki, Kimichi,Maeda, Satoshi,Yoshino, Tatsuhiko,Matsunaga, Shigeki. "Chemoselective Cleavage of Si-C(sp3) Bonds in Unactivated Tetraalkylsilanes Using Iodine Tris(trifluoroacetate)". . p. 103 - 108. Retrieved 2021/01/13.
• 2、 Li, Le,Herzon, Seth B.. "Temporal separation of catalytic activities allows anti-Markovnikov reductive functionalization of terminal alkynes". . p. 22 - 27. Retrieved 2014/01/17.