2-Chlorooctane

Base Information

• Chemical Name: 2-Chlorooctane
• CAS No.: 628-61-5
• Deprecated CAS: 51261-14-4
• Molecular Formula: C8H17 Cl
• Molecular Weight: 148.676
• European Community (EC) Number: 211-046-8
• NSC Number: 5407
• UNII: 0H8W4Y2ETW
• DSSTox Substance ID: DTXSID70870732
• Nikkaji Number: J96.521I
• Wikidata: Q24765603
• Mol file: 628-61-5.mol

Synonyms:2-CHLOROOCTANE;628-61-5;Octane, 2-chloro-;2-Octyl chloride;1-Methylheptyl chloride;2-chloro-octane;UNII-0H8W4Y2ETW;0H8W4Y2ETW;NSC 5407;NSC-5407;EINECS 211-046-8;hexylchloroethane;SCHEMBL1529968;(+/-)-2-CHLOROOCTANE;DTXSID70870732;NSC5407;Octane, 2-chloro-, (.+/-.)-;AKOS009286297;FT-0632658;Q24765603

Chemical Property of 2-Chlorooctane

Chemical Property:

• Vapor Pressure: 1.69mmHg at 25°C
• Melting Point: -41.9°C (estimate)
• Refractive Index: 1.4273
• Boiling Point: 173.4°C at 760 mmHg
• Flash Point: 52.5°C
• PSA: 0.00000
• Density: 0.862g/cm³
• LogP: 3.58410
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 5
• Exact Mass: 148.1018782
• Heavy Atom Count: 9
• Complexity: 52.5

Purity/Quality:

99% ^*data from raw suppliers

2-Chlorooctane 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 2-Chlorooctane

There total 61 articles about 2-Chlorooctane 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: 97.0%

2-octyl chloroformate → trans-2-Octene (13389-42-9) + oct-1-ene (111-66-0,25068-25-1) + 2-chlorooctane (628-61-5)

Guidance literature:

With hexabutylguanidinium chloride; at 100 ℃; for 5h; Yields of byproduct given;

DOI:10.1016/S0040-4039(97)00626-6

Reference yield: 97.0%

rac-octan-2-ol (4128-31-8,113301-48-7,4128-32-9) → 2-chlorooctane (628-61-5)

Guidance literature:

With pyridine; benzyltri(n-butyl)ammonium chloride; benzenesulfonyl chloride; for 1h; Reflux; Inert atmosphere;

DOI:10.1055/s-0032-1317927

Reference yield: 94.0%

trimethyl-(1-methyl-heptyloxy)-silane (18023-52-4) → 2-chlorooctane (628-61-5)

Guidance literature:

With 4-aminophenyl diphenylphosphinite; N-chloro-succinimide; In dichloromethane; for 3h; Heating;

DOI:10.1139/V06-120

upstream raw materials:

pyridine

diethyl ether

(+/-)-chlorosulfinic acid-(1-methyl-heptyl ester)

diphenylether

Downstream raw materials:

hexyl-methyl-ketone

2-Octylsulfonsaeure

2-Octyl-N-methylsulfonanilid

2-Octylsulfonanilid

Refernces

• 1、 Garrard et al.. "-". . p. 740. Retrieved 1966.
• 2、 Liang, Shengzong,Hammond, Gerald B.,Xu, Bo. "Metal-free regioselective hydrochlorination of unactivated alkenes via a combined acid catalytic system". supporting information. p. 680 - 684. Retrieved 2018/02/14.
• 3、 -. "METHOD OF CONVERTING ALCOHOL TO HALIDE". Page/Page column 51; 144. . Retrieved 2017/01/02.