4-Phenylbutyronitrile

Base Information

Chemical Name:4-Phenylbutyronitrile
CAS No.:2046-18-6
Molecular Formula:C10H11N
Molecular Weight:145.204
Hs Code.:2926909090
European Community (EC) Number:218-068-7
NSC Number:1853
UNII:PNG4BJG1Z6
DSSTox Substance ID:DTXSID6062129
Nikkaji Number:J113.971A
Wikidata:Q81989862
Mol file:2046-18-6.mol

Synonyms:4-Phenylbutyronitrile;Benzenebutanenitrile;2046-18-6;4-Phenylbutanenitrile;(3-Cyanopropyl)benzene;Butyronitrile, 4-phenyl-;NSC 1853;1-Cyano-3-phenylpropane;PNG4BJG1Z6;.gamma.-Phenylpropyl cyanide;NSC-1853;EINECS 218-068-7;AI3-11711;P1025;EC 218-068-7;4-phenyl-butyronitrile;UNII-PNG4BJG1Z6;D0FT2Z;4-Phenylbutyronitrile, 99%;SCHEMBL181369;DTXSID6062129;AMY3893;NSC1853;CAA04618;MFCD00001973;AKOS000162284;AS-75933;CS-0269930;FT-0619403;EN300-37309;D92056;3-(CYCLOPENTYLAMINOCARBONYL)PHENYLBORONICACID;J-013338;Ac-Gln-Leu-Lys-Thr-Ala-Asp-Leu-Pro-Ala-Gly-Arg-Asp-Glu-Thr-Thr-Ser-Phe-Val-Leu-Val-NH2 acetate

Suppliers and Price of 4-Phenylbutyronitrile

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

TCI Chemical
4-Phenylbutyronitrile >98.0%(GC)
25mL
$ 52.00

Sigma-Aldrich
4-Phenylbutyronitrile 99%
25g
$ 55.50

Crysdot
4-Phenylbutanenitrile 95+%
500g
$ 362.00

American Custom Chemicals Corporation
4-PHENYLBUTYRIC ACID NITRILE 95.00%
5G
$ 1005.43

American Custom Chemicals Corporation
4-PHENYLBUTYRIC ACID NITRILE 95.00%
2.5G
$ 852.21

American Custom Chemicals Corporation
4-PHENYLBUTYRIC ACID NITRILE 95.00%
1G
$ 648.81

Alichem
4-Phenylbutanenitrile
500g
$ 398.20

Alfa Aesar
4-Phenylbutyronitrile, 97%
25g
$ 48.20

Alfa Aesar
4-Phenylbutyronitrile, 97%
5g
$ 14.80

AK Scientific
4-Phenylbutyronitrile
25g
$ 49.00

Total 32 raw suppliers

Chemical Property of 4-Phenylbutyronitrile

Chemical Property:

Vapor Pressure:0.00622mmHg at 25°C
Refractive Index:n20/D 1.5143(lit.)
Boiling Point:272.1 °C at 760 mmHg
Flash Point:131.7 °C
PSA：23.79000
Density:0.976 g/cm³
LogP:2.53288
Storage Temp.:Sealed in dry,Room Temperature
XLogP3:2.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:145.089149355
Heavy Atom Count:11
Complexity:136

Purity/Quality:

99.9% ^*data from raw suppliers

4-Phenylbutyronitrile >98.0%(GC) ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xn
Hazard Codes:Xn
Statements: 20/21/22-36/37/38
Safety Statements: 37/39

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)CCCC#N
Uses 4-Phenylbutyronitrile was used in the synthesis of light aliphatic nitriles and styrene derivatives.

Technology Process of 4-Phenylbutyronitrile

There total 147 articles about 4-Phenylbutyronitrile 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: 99.0%

: 1202-47-7
2-(2-phenylethyl)propanedinitrile

: 2046-18-6
4-phenylbutyronitrile

Guidance literature:: With N,N,N,N,N,N-hexamethylphosphoric triamide; samarium diiodide; In tetrahydrofuran; at 0 ℃;
DOI:10.1016/0040-4039(95)01606-I

Reference yield: 96.0%

: 1199-98-0
4-phenylbutyramide

: 2046-18-6
4-phenylbutyronitrile

Guidance literature:: With allyl bromide; 1,1'-carbonyldiimidazole; In acetonitrile; 1.) 0.5 h, RT; 2.) 5 h, reflux;

Reference yield: 90.0%

: 1821-12-1
4-Phenylbutyric acid

: 2046-18-6
4-phenylbutyronitrile

Guidance literature:: With sodium azide; triethylamine; triphenylphosphine; (bis-(2-methoxyethyl)amino)sulfur trufluoride; In dichloromethane; dimethyl sulfoxide; at 0 - 20 ℃; for 1h;
DOI:10.1016/j.tetlet.2007.06.119