4-Hexylbenzonitrile

Base Information

Chemical Name:4-Hexylbenzonitrile
CAS No.:29147-95-3
Molecular Formula:C13H17 N
Molecular Weight:187.285
Hs Code.:2926909090
DSSTox Substance ID:DTXSID10509796
Nikkaji Number:J30.853F
Wikidata:Q82367663
Mol file:29147-95-3.mol

Synonyms:4-hexylbenzonitrile;4-N-hexylbenzonitrile;29147-95-3;SCHEMBL1659885;DTXSID10509796;MFCD00799350;AKOS022274340;FT-0695638

Suppliers and Price of 4-Hexylbenzonitrile

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

American Custom Chemicals Corporation
4-HEXYLBENZENECARBONITRILE 95.00%
5MG
$ 501.61

Total 7 raw suppliers

Chemical Property of 4-Hexylbenzonitrile

Chemical Property:

PSA：23.79000
LogP:3.68108
XLogP3:4.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:5
Exact Mass:187.136099547
Heavy Atom Count:14
Complexity:181

Purity/Quality:

99% ^*data from raw suppliers

4-HEXYLBENZENECARBONITRILE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCCC1=CC=C(C=C1)C#N

Technology Process of 4-Hexylbenzonitrile

There total 18 articles about 4-Hexylbenzonitrile 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: 100.0%

: 4-hexylbenzamide

: 29147-95-3
1-(p-cyanophenyl)hexane

Guidance literature:: With thionyl chloride; Reflux;
DOI:10.1039/c6md00365f

Reference yield: 97.0%

: 623-00-7
4-bromobenzenecarbonitrile

: 5-hexyl-1-aza-5-germabicyclo[3.3.3]undecane

: 29147-95-3
1-(p-cyanophenyl)hexane

Guidance literature:: With bis(3,5-bis(trifluoromethyl)phenyl)(2-(2,4,6-triisopropylphenyl)-1H-inden-3-yl)phosphine; bis(dibenzylideneacetone)-palladium⁽⁰⁾; In acetonitrile; at 120 ℃; for 16h; Inert atmosphere; Sealed tube;
DOI:10.1021/jacs.9b02776

Reference yield: 92.0%

: 623-00-7
4-bromobenzenecarbonitrile

: potassium [18-crown-6] bis(catecholato)hexylsilicate

: 29147-95-3
1-(p-cyanophenyl)hexane

Guidance literature:: With bis(1,5-cyclooctadiene)nickel ⁽⁰⁾; C₃₄H₁₈F₁₀IrN₄⁽¹⁺⁾*F₆P^(1-); 4,4'-di-tert-butyl-2,2'-bipyridine; In N,N-dimethyl-formamide; at 20 ℃; for 24h; Glovebox; Irradiation; Inert atmosphere; Schlenk technique;
DOI:10.1002/anie.201504963