4-Pentylbenzonitrile

Base Information

Chemical Name:4-Pentylbenzonitrile
CAS No.:10270-29-8
Molecular Formula:C12H15N
Molecular Weight:173.258
Hs Code.:2926909090
NSC Number:100672
DSSTox Substance ID:DTXSID90295221
Nikkaji Number:J30.855B
Wikidata:Q82035020
Mol file:10270-29-8.mol

Synonyms:4-Pentylbenzonitrile;10270-29-8;4-n-Pentylbenzonitrile;p-amylbenzonitrile;NSC100672;SCHEMBL2997975;DTXSID90295221;LGPQFJXPPKNHJU-UHFFFAOYSA-N;MFCD00218832;AKOS006230451;NSC-100672;MS-22028;CS-0339765;FT-0619359;W-204463

Suppliers and Price of 4-Pentylbenzonitrile

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-Pentylbenzonitrile
500mg
$ 65.00

SynQuest Laboratories
4-Pentylbenzonitrile
1 g
$ 104.00

SynQuest Laboratories
4-Pentylbenzonitrile
10 g
$ 256.00

Apolloscientific
4-Pentylbenzonitrile
10g
$ 216.00

Apolloscientific
4-Pentylbenzonitrile
1g
$ 88.00

American Custom Chemicals Corporation
4-PENTYLBENZONITRILE 95.00%
10G
$ 1323.28

American Custom Chemicals Corporation
4-PENTYLBENZONITRILE 95.00%
1G
$ 631.34

Total 14 raw suppliers

Chemical Property of 4-Pentylbenzonitrile

Chemical Property:

Vapor Pressure:0.00414mmHg at 25°C
Refractive Index:1.51
Boiling Point:278.9 °C at 760 mmHg
Flash Point:122.7 °C
PSA：23.79000
Density:0.95g/cm³
LogP:3.29098
XLogP3:3.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:4
Exact Mass:173.120449483
Heavy Atom Count:13
Complexity:169

Purity/Quality:

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

4-Pentylbenzonitrile ^*data from reagent suppliers

Safty Information:

Pictogram(s): R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.;
Hazard Codes: Xn:Harmful;
Statements: R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.;
Safety Statements: S36/37:Wear suitable protective clothing and gloves.;

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCC1=CC=C(C=C1)C#N

Technology Process of 4-Pentylbenzonitrile

There total 10 articles about 4-Pentylbenzonitrile 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%

: 138913-07-2
4-n-pentylbenzamide

: 10270-29-8
p-n-pentylbenzonitrile

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

Reference yield: 76.0%

: 14906-59-3
4-cyanopyridine N-oxide

: 85017-60-3
4-iodine-pentyl benzene

: 10270-29-8
p-n-pentylbenzonitrile

Guidance literature:: With potassium fluoride; 4,4'-dimethyl-2,2'-bipyridines; trifluoroacetic acid; sodium iodide; nickel dichloride; zinc; In N,N-dimethyl acetamide; at 50 ℃; for 36h;
DOI:10.1021/acscatal.9b04586