2-Cyanoethyl isothiocyanate

Base Information

Chemical Name:2-Cyanoethyl isothiocyanate
CAS No.:18967-32-3
Molecular Formula:C4H4N2S
Molecular Weight:0
Hs Code.:2930909090
DSSTox Substance ID:DTXSID40172376
Nikkaji Number:J41.494H
Mol file:18967-32-3.mol

Synonyms:2-Cyanoethyl isothiocyanate;3-isothiocyanatopropanenitrile;18967-32-3;ISOTHIOCYANIC ACID, 2-CYANOETHYL ESTER;BRN 1701175;4-04-00-02556 (Beilstein Handbook Reference);SCHEMBL7094937;DTXSID40172376;NLXGQEJKDMXLBG-UHFFFAOYSA-N;LS-86407;EN300-6732873

Suppliers and Price of 2-Cyanoethyl isothiocyanate

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

AK Scientific
2-Cyanoethylisothiocyanate
2.5g
$ 1155.00

AK Scientific
2-Cyanoethylisothiocyanate
1g
$ 637.00

Total 3 raw suppliers

Chemical Property of 2-Cyanoethyl isothiocyanate

Chemical Property:

Vapor Pressure:0.00736mmHg at 25°C
Boiling Point:269.2°C at 760 mmHg
Flash Point:116.6°C
PSA：68.24000
Density:1.05g/cm³
LogP:1.00288
XLogP3:1.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:112.00951931
Heavy Atom Count:7
Complexity:126

Purity/Quality:

99% ^*data from raw suppliers

2-Cyanoethylisothiocyanate ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C(CN=C=S)C#N

Technology Process of 2-Cyanoethyl isothiocyanate

There total 4 articles about 2-Cyanoethyl isothiocyanate 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: 57.0%