4-n-Hexyloxybenzonitrile

Base Information

Chemical Name:4-n-Hexyloxybenzonitrile
CAS No.:66052-06-0
Molecular Formula:C13H17NO
Molecular Weight:203.284
Hs Code.:
DSSTox Substance ID:DTXSID20397429
Nikkaji Number:J1.225.156D
Wikidata:Q82198751
Mol file:66052-06-0.mol

Synonyms:4-n-Hexyloxybenzonitrile;66052-06-0;4-(HEXYLOXY)BENZONITRILE;4-hexoxybenzonitrile;4-hexyloxy-benzonitrile;SCHEMBL7219850;DTXSID20397429;MFCD00143325;AKOS002685637;CS-0366441

Suppliers and Price of 4-n-Hexyloxybenzonitrile

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

TRC
4-N-Hexyloxybenzonitrile
50mg
$ 110.00

Rieke Metals
4-n-HEXYLOXYBENZONITRILE
1g
$ 809.00

Rieke Metals
4-n-HEXYLOXYBENZONITRILE
5g
$ 1943.00

Crysdot
4-(Hexyloxy)benzonitrile 97%
5g
$ 1177.00

Crysdot
4-(Hexyloxy)benzonitrile 97%
1g
$ 437.00

Total 13 raw suppliers

Chemical Property of 4-n-Hexyloxybenzonitrile

Chemical Property:

Melting Point:32 °C
Boiling Point:326.2 °C at 760 mmHg
Flash Point:137.7 °C
PSA：33.02000
Density:0.99 g/cm³
LogP:3.51738
Water Solubility.:at 25 deg C (mg/L): 195.3
XLogP3:4.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:203.131014166
Heavy Atom Count:15
Complexity:198

Purity/Quality:

98%Min ^*data from raw suppliers

4-N-Hexyloxybenzonitrile ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCCOC1=CC=C(C=C1)C#N

Technology Process of 4-n-Hexyloxybenzonitrile

There total 11 articles about 4-n-Hexyloxybenzonitrile 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%

: 767-00-0
4-cyanophenol

: 111-27-3
hexan-1-ol

: 66052-06-0
1-(4-cyanophenyl)oxyhexane

Guidance literature:: With nickel(II) sulfate hexahydrate; 4,4'-Dimethoxy-2,2'-bipyridin; C₄₁H₄₀O₁₆; N-ethyl-N,N-diisopropylamine; In acetonitrile; at 20 ℃; for 24h; Schlenk technique; Irradiation; Inert atmosphere;
DOI:10.1016/j.jcat.2021.05.003

Reference yield: 100.0%

: 111-25-1
1-bromo-hexane

: 767-00-0
4-cyanophenol

: 66052-06-0
1-(4-cyanophenyl)oxyhexane

Guidance literature:: In potassium carbonate;

Reference yield: 96.0%

: 623-00-7
4-bromobenzenecarbonitrile

: 111-27-3
hexan-1-ol

: 66052-06-0
1-(4-cyanophenyl)oxyhexane

Guidance literature:: With Quinuclidine; 12C₁₂H₅F₅N^(1-)*6C₂₄H₁₄N₂O₄^(2-)*12Hf⁽⁴⁺⁾*8O^(2-)*14HO^(1-)*6Ir⁽²⁺⁾*6C₁₃H₁₁N₂O₂^(1-)*6Ni⁽²⁺⁾*12Cl^(1-); In acetonitrile; at 20 ℃; for 48h; Catalytic behavior; Irradiation; Inert atmosphere;
DOI:10.1021/jacs.9b08956