(1-Isothiocyanatopropyl)benzene

Base Information

Chemical Name:(1-Isothiocyanatopropyl)benzene
CAS No.:4426-82-8
Molecular Formula:C10H11NS
Molecular Weight:177.27
Hs Code.:
ChEMBL ID:CHEMBL3409409
DSSTox Substance ID:DTXSID90504683
Nikkaji Number:J2.336.821H

Synonyms:CHEMBL3409409;(1-Isothiocyanatopropyl)benzene;4426-82-8;SCHEMBL3915370;DTXSID90504683;BDBM50073732;PD138979

Suppliers and Price of (1-Isothiocyanatopropyl)benzene

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 1 raw suppliers

Chemical Property of (1-Isothiocyanatopropyl)benzene

Chemical Property:

XLogP3:4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:177.06122053
Heavy Atom Count:12
Complexity:167

Purity/Quality:: 95% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCC(C1=CC=CC=C1)N=C=S

Technology Process of (1-Isothiocyanatopropyl)benzene

There total 12 articles about (1-Isothiocyanatopropyl)benzene 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: 96.0%

: 1147550-11-5
ammonium thiocyanate

: 321884-15-5
2-(1-phenyl-propoxy)-tetrahydro-pyran

: 4426-82-8,737001-04-6
(1-isothiocyanatopropyl)benzene

: (1-thiocyanato-propyl)-benzene

Guidance literature:: ammonium thiocyanate; With triphenylphosphine dibromide 1:1 addition complex; In acetonitrile; at 20 ℃;

2-(1-phenyl-propoxy)-tetrahydro-pyran; In acetonitrile; at 20 ℃; Title compound not separated from byproducts;
DOI:10.1080/104265090917439

Reference yield: 89.0%

: 93-54-9
1-Phenyl-1-propanol

: 1147550-11-5
ammonium thiocyanate

: 4426-82-8,737001-04-6
(1-isothiocyanatopropyl)benzene

: (1-thiocyanato-propyl)-benzene

Guidance literature:: With bromine; triphenylphosphine; In acetonitrile; at 20 ℃;
DOI:10.1039/a906113d

Reference yield: 85.0%

: 62559-30-2
1-phenylpropyl trimethylsilyl ether

: 1147550-11-5
ammonium thiocyanate

: 4426-82-8,737001-04-6
(1-isothiocyanatopropyl)benzene

: (1-thiocyanato-propyl)-benzene

Guidance literature:: ammonium thiocyanate; With bromine; triphenylphosphine; In acetonitrile; at 20 ℃;

1-phenylpropyl trimethylsilyl ether; In acetonitrile; at 20 ℃;