Benzophenone-4-isothiocyanate

Base Information

Chemical Name:Benzophenone-4-isothiocyanate
CAS No.:26328-59-6
Molecular Formula:C14H9NOS
Molecular Weight:239.298
Hs Code.:29309090
European Community (EC) Number:636-782-0
UNII:822NDN9MZT
DSSTox Substance ID:DTXSID50465842
Nikkaji Number:J776.728E
RXCUI:2672340
Mol file:26328-59-6.mol

Synonyms:Benzophenone-4-isothiocyanate;26328-59-6;Methanone, (4-isothiocyanatophenyl)phenyl-;(4-isothiocyanatophenyl)-phenylmethanone;(4-isothiocyanatophenyl)(phenyl)methanone;4-Isothiocyanatobenzophenone;822NDN9MZT;4-Benzoylphenyl isothiocyanate;SCHEMBL635606;4-ISOTHIOCYANOBENZOPHENONE;DTXSID50465842;(4-Isothiocyanatophenyl)phenylmethanone;Benzophenone, 4-hydroxy-, isothiocyanate;AS-77785;FT-0622727;J-016383

Suppliers and Price of Benzophenone-4-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

Total 5 raw suppliers

Chemical Property of Benzophenone-4-isothiocyanate

Chemical Property:

Refractive Index:1.7500 (estimate)
PSA：61.52000
Density:1.2833 (rough estimate)
LogP:3.65190
Storage Temp.:−20°C
Water Solubility.:3.574mg/L(25 oC)
XLogP3:4.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:239.04048508
Heavy Atom Count:17
Complexity:308

Purity/Quality:: 98%Min ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:C
Statements: 34
Safety Statements: 26-36/37/39-45

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)N=C=S

Technology Process of Benzophenone-4-isothiocyanate

There total 4 articles about Benzophenone-4-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:

: 75-15-0,12122-00-8
carbon disulfide

: 1137-41-3,444317-48-0
(4-aminophenyl)(phenyl)methanone

: 26328-59-6
benzophenone 4-isothiocyanate

Guidance literature:: (4-aminophenyl)(phenyl)methanone; With sodium hydride; In tetrahydrofuran; mineral oil; for 0.166667h; Cooling with ice;

carbon disulfide; In tetrahydrofuran; mineral oil; for 18h; Reflux;

With dmap; di-tert-butyl dicarbonate; In tetrahydrofuran; mineral oil; at 0 - 20 ℃; for 1h;
DOI:10.1016/j.bmc.2016.12.029