Pentafluorophenyl isothiocyanate

Base Information

Chemical Name:Pentafluorophenyl isothiocyanate
CAS No.:35923-79-6
Molecular Formula:C7F5NS
Molecular Weight:225.142
Hs Code.:29309090
European Community (EC) Number:252-791-9
DSSTox Substance ID:DTXSID40189489
Nikkaji Number:J319.563E
Mol file:35923-79-6.mol

Synonyms:1,2,3,4,5-pentafluoro-6-isothiocyanatobenzene;benzene, pentafluoroisothiocyanato-;pentafluorophenyl-isothiocyanate;pentafluorophenylisothiocyanate

Suppliers and Price of Pentafluorophenyl 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

TRC
Pentafluorophenyl isothiocyanate
100mg
$ 60.00

TRC
Pentafluorophenyl isothiocyanate
500mg
$ 110.00

SynQuest Laboratories
Pentafluorophenyl isothiocyanate 98%
1 g
$ 144.00

SynQuest Laboratories
Pentafluorophenyl isothiocyanate 98%
100 mg
$ 24.00

SynQuest Laboratories
Pentafluorophenyl isothiocyanate 98%
5 g
$ 312.00

Sigma-Aldrich
Pentafluorophenyl isothiocyanate ≥97.0% (GC)
1ml
$ 148.00

Sigma-Aldrich
Pentafluorophenyl isothiocyanate ≥97.0% (GC)
5ml
$ 691.00

Matrix Scientific
2,3,4,5,6-Pentafluorophenyl isothiocyanate 98%
25g
$ 678.00

Matrix Scientific
2,3,4,5,6-Pentafluorophenyl isothiocyanate 98%
5g
$ 226.00

Matrix Scientific
2,3,4,5,6-Pentafluorophenyl isothiocyanate 98%
1g
$ 49.00

Total 21 raw suppliers

Chemical Property of Pentafluorophenyl isothiocyanate

Chemical Property:

Vapor Pressure:0.137mmHg at 25°C
Refractive Index:n20/D 1.540
Boiling Point:224.3 °C at 760 mmHg
Flash Point:89.4 °C
PSA：44.45000
Density:1.55 g/cm³
LogP:3.11640
Storage Temp.:2-8°C
Sensitive.:Moisture Sensitive
XLogP3:3.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:1
Exact Mass:224.96716099
Heavy Atom Count:14
Complexity:241

Purity/Quality:

97% ^*data from raw suppliers

Pentafluorophenyl isothiocyanate ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xn,Xi
Hazard Codes:Xn,Xi
Statements: 20/21/22-36/37/38-42
Safety Statements: 23-26-36/37-45

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C(=NC1=C(C(=C(C(=C1F)F)F)F)F)=S
Uses Pentafluorophenyl isothiocyanate is used in the preparation of 5-isopropyl-3-pentafluorophenyl-2-thiohydantoin.

Technology Process of Pentafluorophenyl isothiocyanate

There total 3 articles about Pentafluorophenyl 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: 82.0%