6-Chloro-1-hexyne

Base Information

• Chemical Name: 6-Chloro-1-hexyne
• CAS No.: 10297-06-0
• Molecular Formula: C6H9Cl
• Molecular Weight: 116.59
• Hs Code.: 29032990
• European Community (EC) Number: 629-470-0
• NSC Number: 116032
• DSSTox Substance ID: DTXSID00297453
• Nikkaji Number: J29.179J
• Wikidata: Q82038555
• Mol file: 10297-06-0.mol

Synonyms:6-Chloro-1-hexyne;6-chlorohex-1-yne;10297-06-0;5-Hexynechloride;1-Hexyne, 6-chloro-;5-Hexynyl Chloride;1-chloro-5-hexyne;NSC116032;6-chloro-hex-1-yne;6-Chloro-1-hexyne, 98%;SCHEMBL223119;ZUKOCGMVJUXIJA-UHFFFAOYSA-;DTXSID00297453;MFCD00013697;AKOS009156863;NSC 116032;NSC-116032;AS-41056;CS-0204489;FT-0636673;EN300-95983

Chemical Property of 6-Chloro-1-hexyne

Chemical Property:

• Appearance/Colour: Clear yellow liquid
• Vapor Pressure: 5.88mmHg at 25°C
• Refractive Index: n20/D 1.451(lit.)
• Boiling Point: 146.3 °C at 760 mmHg
• Flash Point: 38.1 °C
• PSA: 0.00000
• Density: 0.95 g/cm³
• LogP: 2.02870
• Storage Temp.: Flammables area
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 116.0392780
• Heavy Atom Count: 7
• Complexity: 67.5

Purity/Quality:

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

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

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 10-36/37/38
• Safety Statements: 16-26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C#CCCCCCl
• Uses: 6-Chloro-1-hexyne is used as an organic chemical synthesis intermediate.

Technology Process of 6-Chloro-1-hexyne

There total 7 articles about 6-Chloro-1-hexyne 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: 80.0%

5-hexyl-1-ol (928-90-5) → 1-chloro-5-hexyne (10297-06-0)

Guidance literature:

With pyridine; thionyl chloride; at 0 - 20 ℃;

DOI:10.1080/10587250290088438

Reference yield: 57.0%

4-chlorobutyl bromide (6940-78-9) + sodium acetylide (1066-26-8) → 1-chloro-5-hexyne (10297-06-0)

Guidance literature:

With ammonia; at -40 ℃; for 3h;

DOI:10.1002/ejoc.200600556

Reference yield:

1-chloro-4-pentyne (14267-92-6) → 1-chloro-5-hexyne (10297-06-0) + Cyclobutyl acetylene (50786-62-4)

Guidance literature:

upstream raw materials:

4-chlorobutyl bromide

sodium acetylide

1-chloro 4-iodobutane

acetylene

Downstream raw materials:

6-fluorohex-1-yne

6-chlorohexene

1-iodo-5-hexyne

7-Chlor-1,1-diphenyl-heptin-⁽²⁾-ol-⁽¹⁾

Refernces

• 1、 Kosuge, Hiroaki,Okada, Shuji,Oikawa, Hidetoshi,Nakanishi, Hachiro. "Polydiacetylenes in organic-inorganic hybrid systems". . p. 13 - 18. Retrieved 2007/10/03.