3-Fluoro-4-mercaptobenzonitrile

Base Information

Chemical Name:3-Fluoro-4-mercaptobenzonitrile
CAS No.:110888-16-9
Molecular Formula:C7H4FNS
Molecular Weight:153.1767632
Hs Code.:
European Community (EC) Number:825-678-2
Mol file:110888-16-9.mol

Synonyms:3-FLUORO-4-MERCAPTOBENZONITRILE;3-fluoro-4-sulfanylbenzonitrile;110888-16-9;Benzonitrile, 3-fluoro-4-mercapto-;SCHEMBL10503719;DB-348194;EN300-84582;J-512507

Suppliers and Price of 3-Fluoro-4-mercaptobenzonitrile

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

TRC
3-Fluoro-4-sulfanylbenzonitrile
250mg
$ 350.00

AK Scientific
3-Fluoro-4-sulfanylbenzonitrile
100mg
$ 240.00

AHH
3-FLUORO-4-MERCAPTOBENZONITRILE 97%
1g
$ 275.00

Total 2 raw suppliers

Chemical Property of 3-Fluoro-4-mercaptobenzonitrile

Chemical Property:

Boiling Point:256.4±25.0 °C(Predicted)
PKA:4.43±0.48(Predicted)
Density:1.28±0.1 g/cm3(Predicted)
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:0
Exact Mass:153.00484847
Heavy Atom Count:10
Complexity:162

Purity/Quality:

97%min ^*data from raw suppliers

3-Fluoro-4-sulfanylbenzonitrile ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC(=C(C=C1C#N)F)S

Technology Process of 3-Fluoro-4-mercaptobenzonitrile

There total 2 articles about 3-Fluoro-4-mercaptobenzonitrile 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: 58.0%

: 887266-99-1
3-fluoro-4-iodo-benzonitrile

: 110888-16-9
3-fluoro-4-mercaptobenzonitrile

Guidance literature:: 3-fluoro-4-iodo-benzonitrile; With sodium sulfide; In N,N-dimethyl-formamide; at 20 ℃; for 48h; Inert atmosphere;

With hydrogenchloride; zinc; In water; Cooling with ice; Inert atmosphere;
DOI:10.1016/j.tetlet.2012.03.032

Reference yield:

: 64248-62-0
3,4-Difluorobenzonitrile

: 110888-16-9
3-fluoro-4-mercaptobenzonitrile

Guidance literature:: 3,4-Difluorobenzonitrile; In dimethyl sulfoxide; at 75 ℃; for 0.333333h;

With sodiumsulfide nonahydrate; In dimethyl sulfoxide; at 75 ℃; for 2h;
DOI:10.1016/j.ejmech.2019.02.002