1,6-Dichlorohexane

Base Information

• Chemical Name: 1,6-Dichlorohexane
• CAS No.: 2163-00-0
• Molecular Formula: C6H12Cl2
• Molecular Weight: 155.067
• Hs Code.: 29031980
• European Community (EC) Number: 218-491-7
• NSC Number: 60700
• UN Number: 3082
• UNII: YK75382Q85
• DSSTox Substance ID: DTXSID9044409
• Nikkaji Number: J7.340G
• Wikidata: Q161559
• ChEMBL ID: CHEMBL3183456
• Mol file: 2163-00-0.mol

Synonyms:1,6-dichlorohexane

Chemical Property of 1,6-Dichlorohexane

Chemical Property:

• Appearance/Colour: Clear colourless liquid
• Vapor Pressure: 0.385mmHg at 25°C
• Melting Point: -13 °C
• Refractive Index: n20/D 1.457(lit.)
• Boiling Point: 204 °C at 760 mmHg
• Flash Point: 73.9 °C
• PSA: 0.00000
• Density: 1.031 g/cm³
• LogP: 3.02440
• Storage Temp.: Store below +30°C.
• Solubility.: 57mg/l
• Water Solubility.: sparingly soluble
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 5
• Exact Mass: 154.0316058
• Heavy Atom Count: 8
• Complexity: 31.5
• Transport DOT Label: Class 9

Purity/Quality:

98% ^*data from raw suppliers

1,6-Dichlorohexane ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,N
• Statements: 36/37/38-53-52/53-51/53
• Safety Statements: 26-36-61-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Halogenated Aliphatics, Saturated
• Canonical SMILES: C(CCCCl)CCCl

Technology Process of 1,6-Dichlorohexane

There total 23 articles about 1,6-Dichlorohexane 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) → 1,6-dichlorohexane (2163-00-0)

Guidance literature:

1,6-hexanediol; With N,N-dimethylthiourea; In dichloromethane; at 20 ℃;

With N-chloro-succinimide; In dichloromethane; at 20 ℃; for 1h; Irradiation;

DOI:10.1021/acs.joc.0c01431

Reference yield: 93.0%

1,6-bis-chlorocarbonyloxy-hexane (2916-20-3) → 1,6-dichlorohexane (2163-00-0)

Guidance literature:

With hexabutylguanidinium chloride; at 120 ℃; for 4h;

DOI:10.1081/SCC-100000525

Reference yield: 53.0%

3-(phenylsulfonyl)propyl chloride (19432-96-3) → 1-Chloropropane (540-54-5) + (cyclopropylsulfonyl)benzene (17637-57-9) + 1,6-dichlorohexane (2163-00-0)

Guidance literature:

With sodium amalgam; In benzene; for 6h; Heating;

DOI:10.1016/S0040-4039(02)01908-1

upstream raw materials:

1,6-Hexanediamine

1,6-hexanediol

N,N'-dibenzoylhexane-1,6-diamine

phosgene

Downstream raw materials:

1,6-diphenoxyhexane

2,2-diphenyl-8-piperidino-octanenitrile

8-diethylamino-2,2-diphenyl-octanenitrile

7-chloroheptanenitrile

Refernces

• 1、 Mohite, Amar R.,Phatake, Ravindra S.,Dubey, Pooja,Agbaria, Mohamed,Shames, Alexander I.,Lemcoff, N. Gabriel,Reany, Ofer. "Thiourea-Mediated Halogenation of Alcohols". supporting information. p. 12901 - 12911. Retrieved 2020/11/26.
• 2、 Nguyen, Thanh V.,Bekensir, Alp. "Aromatic cation activation: Nucleophilic substitution of alcohols and carboxylic acids". supporting information. p. 1720 - 1723. Retrieved 2014/04/17.