Benzeneacetonitrile, 2-nitro-5-(phenylthio)-

Base Information

Chemical Name:Benzeneacetonitrile, 2-nitro-5-(phenylthio)-
CAS No.:72301-69-0
Molecular Formula:C14H10N2O2S
Molecular Weight:270.312
Hs Code.:
DSSTox Substance ID:DTXSID90451840
Wikidata:Q82272094

Synonyms:Benzeneacetonitrile, 2-nitro-5-(phenylthio)-;72301-69-0;DTXSID90451840

Suppliers and Price of Benzeneacetonitrile, 2-nitro-5-(phenylthio)-

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
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Total 0 raw suppliers

Chemical Property of Benzeneacetonitrile, 2-nitro-5-(phenylthio)-

Chemical Property:

Melting Point:104-105 °C
Boiling Point:485.2±40.0 °C(Predicted)
PSA：94.91000
Density:1.33±0.1 g/cm3(Predicted)
LogP:4.33528
XLogP3:3.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:270.04629874
Heavy Atom Count:19
Complexity:354

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)SC2=CC(=C(C=C2)[N+](=O)[O-])CC#N

Technology Process of Benzeneacetonitrile, 2-nitro-5-(phenylthio)-

There total 3 articles about Benzeneacetonitrile, 2-nitro-5-(phenylthio)- 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: 74.0%