3-Chlorooctane

Base Information

Chemical Name:3-Chlorooctane
CAS No.:1117-79-9
Deprecated CAS:128399-51-9
Molecular Formula:C8H17Cl
Molecular Weight:148.676
Hs Code.:2903199000
European Community (EC) Number:214-253-1
DSSTox Substance ID:DTXSID10883649
Nikkaji Number:J97.445E
Mol file:1117-79-9.mol

Synonyms:3-Chlorooctane;Octane, 3-chloro-;1117-79-9;EINECS 214-253-1;Ethylhexylchlorid;SCHEMBL6262427;DTXSID10883649;AKOS011002496;Methyl?3-chlorothiophene-2-carboxylate;FT-0692132

Suppliers and Price of 3-Chlorooctane

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 8 raw suppliers

Chemical Property of 3-Chlorooctane

Chemical Property:

Vapor Pressure:1.69mmHg at 25°C
Melting Point:-41.9°C (estimate)
Refractive Index:1.4181 (estimate)
Boiling Point:173.4oC at 760 mmHg
Flash Point:52.5oC
PSA：0.00000
Density:0.862g/cm3
LogP:3.58410
XLogP3:4.1
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:: 98%,99%, ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCC(CC)Cl

Technology Process of 3-Chlorooctane

There total 27 articles about 3-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: 93.0%

: 4883-87-8
octan-3-yl 4-methylbenzenesulfonate

: 1117-79-9
3-chlorooctane

Guidance literature:: With 1-butyl-3-methylimidazolium chloride; at 60 ℃; for 8h; Inert atmosphere; Green chemistry;
DOI:10.1055/s-0032-1317473 DOI:10.1055/s-0032-1317473

Reference yield: 85.0%

: 4128-31-8,113301-48-7,4128-32-9
rac-octan-2-ol

: 999-07-5,116836-11-4,140238-50-2
4-chlorooctane

: 1117-79-9
3-chlorooctane

: 628-61-5
2-chlorooctane

Guidance literature:: With chloro-trimethyl-silane; bismuth(III) chloride; In neat (no solvent); at 80 ℃; for 2h;

Reference yield: 35.0%

: 111-71-7
heptanal

: 41453-01-4
Methylniobtetrachlorid

: 999-07-5,116836-11-4,140238-50-2
4-chlorooctane

: 1117-79-9
3-chlorooctane

: 628-61-5
2-chlorooctane

Guidance literature:: In cyclohexane; Product distribution; Mechanism; -78 deg C to r.t.; other aldehydes and ketones, other solvents;
DOI:10.1016/0040-4039(90)87019-V