Benzonitrile, 4-(chlorophenylmethyl)-

Base Information

Chemical Name:Benzonitrile, 4-(chlorophenylmethyl)-
CAS No.:13391-42-9
Molecular Formula:C14H10ClN
Molecular Weight:227.693
Hs Code.:
DSSTox Substance ID:DTXSID40438585
Mol file:13391-42-9.mol

Synonyms:Benzonitrile, 4-(chlorophenylmethyl)-;13391-42-9;SCHEMBL9161512;DTXSID40438585

Suppliers and Price of Benzonitrile, 4-(chlorophenylmethyl)-

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

Total 3 raw suppliers

Chemical Property of Benzonitrile, 4-(chlorophenylmethyl)-

Chemical Property:

XLogP3:3.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:227.0501770
Heavy Atom Count:16
Complexity:253

Purity/Quality:: 98%min ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)C(C2=CC=C(C=C2)C#N)Cl

Technology Process of Benzonitrile, 4-(chlorophenylmethyl)-

There total 2 articles about Benzonitrile, 4-(chlorophenylmethyl)- 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:

: 13391-47-4
4-cyanobenzhydrol

: 13391-42-9
4-Cyan-benzhydrylchlorid

Guidance literature:: With thionyl chloride;
DOI:10.1021/jo01284a600

Reference yield:

: 105-07-7
4-cyanobenzaldehyde

: 13391-42-9
4-Cyan-benzhydrylchlorid

Guidance literature:: Multi-step reaction with 2 steps

1: tetrahydrofuran / 1 h / 20 °C

2: SOCl₂ / CH₂Cl₂ / 1 h / 0 °C

With thionyl chloride; In tetrahydrofuran; dichloromethane;
DOI:10.1016/j.bmcl.2004.02.092

Reference yield:

: 13391-42-9
4-Cyan-benzhydrylchlorid

: 4-phenyl[4-(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)piperazino]methylbenzonitrile

Guidance literature:: Multi-step reaction with 2 steps

1: acetonitrile / Heating

2: Et₃N / ethanol / 4 h / 90 °C

With triethylamine; In ethanol; acetonitrile;
DOI:10.1016/j.bmcl.2004.02.092