1-Isocyanato-2-(phenylsulfanyl)benzene

Base Information

Chemical Name:1-Isocyanato-2-(phenylsulfanyl)benzene
CAS No.:13739-55-4
Molecular Formula:C13H9 N O S
Molecular Weight:227.287
Hs Code.:2930909090
DSSTox Substance ID:DTXSID00605852
Mol file:13739-55-4.mol

Synonyms:13739-55-4;1-ISOCYANATO-2-(PHENYLSULFANYL)BENZENE;1-isocyanato-2-phenylsulfanylbenzene;1-ISOCYANATO-2-PHENYLSULFANYL-BENZENE;Benzene, 1-isocyanato-2-(phenylthio)-;SCHEMBL624408;2-(Phenylthio)phenylisocyanate;DTXSID00605852;OBIGPOGFLBZPFB-UHFFFAOYSA-N;MFCD09833441;2-Isocyanato 1-phenylsulfanyl-benzene;2-isocyanato-1-phenylsulfanyl-benzene

Suppliers and Price of 1-Isocyanato-2-(phenylsulfanyl)benzene

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
1-ISOCYANATO-2-PHENYLSULFANYL-BENZENE 95.00%
5MG
$ 497.67

Total 3 raw suppliers

Chemical Property of 1-Isocyanato-2-(phenylsulfanyl)benzene

Chemical Property:

Melting Point:125-130 °C
Boiling Point:320.5±25.0 °C(Predicted)
PSA：54.73000
Density:1.12±0.1 g/cm3(Predicted)
LogP:3.80510
XLogP3:4.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:227.04048508
Heavy Atom Count:16
Complexity:257

Purity/Quality:

99% ^*data from raw suppliers

1-ISOCYANATO-2-PHENYLSULFANYL-BENZENE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)SC2=CC=CC=C2N=C=O

Technology Process of 1-Isocyanato-2-(phenylsulfanyl)benzene

There total 4 articles about 1-Isocyanato-2-(phenylsulfanyl)benzene 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: 67.0%

: 32315-10-9
bis(trichloromethyl) carbonate

: 1134-94-7
2-phenylsulfanyl-aniline

: 13739-55-4
2-phenylthiophenyl isocyanate

Guidance literature:: In 1,4-dioxane; at 20 - 60 ℃; for 1h;

Reference yield:

: 111974-73-3
phenyl [2-(phenylsulphanyl)phenyl]carbamate

: 13739-55-4
2-phenylthiophenyl isocyanate

Guidance literature:: at 143 - 168 ℃; under 0.750075 Torr;

Reference yield:

: 1134-94-7
2-phenylsulfanyl-aniline

: 13739-55-4
2-phenylthiophenyl isocyanate

Guidance literature:: Multi-step reaction with 2 steps

1: potassium carbonate / toluene / 10 °C / Inert atmosphere; Large scale

2: 143 - 168 °C / 0.75 Torr

With potassium carbonate; In toluene;