4-Heptylbenzonitrile

Base Information

Chemical Name:4-Heptylbenzonitrile
CAS No.:60484-67-5
Molecular Formula:C14H19N
Molecular Weight:201.312
Hs Code.:2926909090
European Community (EC) Number:679-958-2
DSSTox Substance ID:DTXSID00341804
Nikkaji Number:J30.854D
Wikidata:Q82112239
Mol file:60484-67-5.mol

Synonyms:4-Heptylbenzonitrile;60484-67-5;p-Heptylbenzonitrile;4-N-HEPTYLBENZONITRILE;4-Cyanophenyl-N-heptane;p-n-heptylbenzonitrile;4-Heptylbenzonitrile #;1-(4-Cyanophenyl)heptane;SCHEMBL1312812;4-(6-methylhexyl) benzonitrile;XTIKBCXMOYZUMG-UHFFFAOYSA-;DTXSID00341804;MFCD00143348;AKOS015839894;FT-0692493;H0778;D90950;J-515447

Suppliers and Price of 4-Heptylbenzonitrile

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-Heptylbenzonitrile
25mg
$ 45.00

TCI Chemical
4-Heptylbenzonitrile >98.0%(GC)
1mL
$ 66.00

TCI Chemical
4-Heptylbenzonitrile >98.0%(GC)
5mL
$ 168.00

Crysdot
4-Heptylbenzonitrile 95+%
25g
$ 313.00

American Custom Chemicals Corporation
4-HEPTYLBENZONITRILE 95.00%
1G
$ 669.44

AK Scientific
4-Heptylbenzonitrile
1ml
$ 139.00

Total 18 raw suppliers

Chemical Property of 4-Heptylbenzonitrile

Chemical Property:

Vapor Pressure:0.000535mmHg at 25°C
Refractive Index:1.504
Boiling Point:312.2°C at 760 mmHg
Flash Point:143.2°C
PSA：23.79000
Density:0.92
LogP:4.07118
Storage Temp.:Sealed in dry,Room Temperature
XLogP3:4.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:6
Exact Mass:201.151749610
Heavy Atom Count:15
Complexity:193

Purity/Quality:

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

4-Heptylbenzonitrile ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCCCC1=CC=C(C=C1)C#N

Technology Process of 4-Heptylbenzonitrile

There total 2 articles about 4-Heptylbenzonitrile 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: 88.0%

: 638-45-9
1-Iodohexane

: 104-85-8
para-methylbenzonitrile

: 60484-67-5
4-heptylbenzenecarbonitrile

Guidance literature:: para-methylbenzonitrile; With 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone; lithium diisopropyl amide; In tetrahydrofuran; hexane; at -78 ℃; for 0.25h;

1-Iodohexane; In tetrahydrofuran; hexane; at -78 ℃; for 0.5h;
DOI:10.1080/00304949909355729

Reference yield:

: 220213-92-3
(4-cyanophenyl)zinc(II) iodide

: 4282-40-0
1-Iodoheptane

: 60484-67-5
4-heptylbenzenecarbonitrile

Guidance literature:: With chloro(1,5-cyclooctadiene)rhodium(I) dimer; 3-diphenylphosphino-2-(diphenylphosphino)methyl-2-methylpropyl acetate; In tetramethylurea; at 20 ℃; for 24h; Inert atmosphere;
DOI:10.1021/ol100210u