3-Cyano-4-fluorobenzylcyanide

Base Information

Chemical Name:3-Cyano-4-fluorobenzylcyanide
CAS No.:519059-09-7
Molecular Formula:C9H5FN2
Molecular Weight:160.151
Hs Code.:2926909090
DSSTox Substance ID:DTXSID90378785
Wikidata:Q72458204
Mol file:519059-09-7.mol

Synonyms:519059-09-7;3-Cyano-4-fluorobenzylcyanide;5-(cyanomethyl)-2-fluorobenzonitrile;3-cyano-4-fluorobenzyl cyanide;3-CYANO-4-FLUOROPHENYLACETONITRILE;Benzeneacetonitrile, 3-cyano-4-fluoro- (9CI);MFCD03094342;5-(Cyanomethyl)-2-fluoro-benzonitrile;SCHEMBL3075770;DTXSID90378785;KRNCZBBJZSYHMX-UHFFFAOYSA-N;3-Cyano-4-fluorobenzeneacetonitrile;BBL103507;CL8775;STL557317;AKOS006228282;CS-W022260;FS-3152;FT-0704231;EN300-1826060;A871127

Suppliers and Price of 3-Cyano-4-fluorobenzylcyanide

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
3-Cyano-4-fluorobenzylcyanide
100mg
$ 65.00

Matrix Scientific
3-Cyano-4-fluorobenzylcyanide 95+%
5g
$ 1298.00

Matrix Scientific
3-Cyano-4-fluorobenzylcyanide 95+%
1g
$ 462.00

Crysdot
5-(Cyanomethyl)-2-fluorobenzonitrile 95+%
10g
$ 455.00

Crysdot
5-(Cyanomethyl)-2-fluorobenzonitrile 95+%
1g
$ 79.00

Crysdot
5-(Cyanomethyl)-2-fluorobenzonitrile 95+%
5g
$ 248.00

Crysdot
5-(Cyanomethyl)-2-fluorobenzonitrile 95+%
25g
$ 882.00

Chemenu
5-(Cyanomethyl)-2-fluorobenzonitrile 95%
25g
$ 832.00

Chemenu
5-(Cyanomethyl)-2-fluorobenzonitrile 95%
5g
$ 234.00

Chemenu
5-(Cyanomethyl)-2-fluorobenzonitrile 95%
10g
$ 430.00

Total 28 raw suppliers

Chemical Property of 3-Cyano-4-fluorobenzylcyanide

Chemical Property:

Boiling Point:302 °C at 760 mmHg
Flash Point:136.4 °C
PSA：47.58000
Density:1.21 g/cm³
LogP:1.76346
Storage Temp.:Sealed in dry,Room Temperature
XLogP3:1.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:160.04367633
Heavy Atom Count:12
Complexity:244

Purity/Quality:

97% ^*data from raw suppliers

3-Cyano-4-fluorobenzylcyanide ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=C(C=C1CC#N)C#N)F

Technology Process of 3-Cyano-4-fluorobenzylcyanide

There total 1 articles about 3-Cyano-4-fluorobenzylcyanide 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:

: 7677-24-9
trimethylsilyl cyanide

: 180302-35-6
5-bromomethyl-2-fluorobenzonitrile

: 519059-09-7
5-(cyanomethyl)-2-fluorobenzonitrile

Guidance literature:: With tetrabutyl ammonium fluoride; In acetonitrile; for 2h;
DOI:10.1016/j.bmcl.2009.11.087

Reference yield: 94.4%

: 519059-09-7
5-(cyanomethyl)-2-fluorobenzonitrile

: 91-15-6
phthalonitrile

: 2-(4-fluoro-3-carboxyphenyl)acetylbenzoic acid

Guidance literature:: 5-(cyanomethyl)-2-fluorobenzonitrile; phthalonitrile; With potassium tert-butylate; In toluene; at 50 - 80 ℃; for 5h;

With water; In toluene; at 90 - 95 ℃; for 5h; Temperature;

Reference yield: 91.4%

: 85-44-9
phthalic anhydride

: 519059-09-7
5-(cyanomethyl)-2-fluorobenzonitrile

: 2-(4-fluoro-3-carboxyphenyl)acetylbenzoic acid

Guidance literature:: phthalic anhydride; 5-(cyanomethyl)-2-fluorobenzonitrile; With potassium tert-butylate; In tetrahydrofuran; at 50 - 64 ℃; for 8h;

With water; In tetrahydrofuran; at 50 - 95 ℃; for 5h;