3-[(4-Chlorophenyl)sulfanyl]propanenitrile

Base Information

Chemical Name:3-[(4-Chlorophenyl)sulfanyl]propanenitrile
CAS No.:5307-86-8
Molecular Formula:C9H8 Cl N S
Molecular Weight:197.688
Hs Code.:2930909090
European Community (EC) Number:684-358-9
DSSTox Substance ID:DTXSID30365210
Nikkaji Number:J2.149.620K
Wikidata:Q82149688
Mol file:5307-86-8.mol

Synonyms:5307-86-8;3-[(4-chlorophenyl)sulfanyl]propanenitrile;3-[(4-chlorophenyl)thio]propanenitrile;3-(4-chlorophenyl)sulfanylpropanenitrile;3-(4-chlorophenylthio)propanenitrile;SCHEMBL11617330;DTXSID30365210;SECQTJKHIJFJCU-UHFFFAOYSA-N;3-(p-Chlorophenylthio)-propionitrile;MFCD00019876;STL286663;AKOS000216426;3-(4-CHLOROPHENYLTHIO)PROPIONITRILE;FT-0769581

Suppliers and Price of 3-[(4-Chlorophenyl)sulfanyl]propanenitrile

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

American Custom Chemicals Corporation
3-[(4-CHLOROPHENYL)THIO]PROPANENITRILE 95.00%
5MG
$ 504.16

Total 7 raw suppliers

Chemical Property of 3-[(4-Chlorophenyl)sulfanyl]propanenitrile

Chemical Property:

Vapor Pressure:9.24E-05mmHg at 25°C
Melting Point:54-55 °C(Solv: ethanol (64-17-5))
Boiling Point:339.3°C at 760 mmHg
Flash Point:159°C
PSA：49.09000
Density:1.24g/cm³
LogP:3.34578
XLogP3:2.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:197.0065981
Heavy Atom Count:12
Complexity:167

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

3-[(4-CHLOROPHENYL)THIO]PROPANENITRILE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:C1=CC(=CC=C1SCCC#N)Cl

Technology Process of 3-[(4-Chlorophenyl)sulfanyl]propanenitrile

There total 3 articles about 3-[(4-Chlorophenyl)sulfanyl]propanenitrile 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%

: 107-13-1,25014-41-9
acrylonitrile

: 106-54-7
p-Chlorothiophenol

: 5307-86-8
3-(4-chlorophenylsulfanyl)propionitrile

Guidance literature:: With β‐cyclodextrin; In water; acetone; at 20 ℃; for 0.166667h;
DOI:10.1039/b411736k

Reference yield: 86.0%

: 1142-19-4
4,4'-dichlorodiphenyl disulfide

: 107-13-1,25014-41-9
acrylonitrile

: 5307-86-8
3-(4-chlorophenylsulfanyl)propionitrile

Guidance literature:: 4,4'-dichlorodiphenyl disulfide; With bis(cyclopentadienyl)titanium dichloride; zinc; In tetrahydrofuran; at 20 ℃; Inert atmosphere;

acrylonitrile; In tetrahydrofuran; at 20 ℃; for 4.5h; Inert atmosphere;
DOI:10.3184/030823409X12592534682310