1-Isothiocyanato-4-phenoxybenzene

Base Information

Chemical Name:1-Isothiocyanato-4-phenoxybenzene
CAS No.:3529-87-1
Molecular Formula:C13H9NOS
Molecular Weight:227.287
Hs Code.:2930909090
European Community (EC) Number:671-331-1
DSSTox Substance ID:DTXSID50188781
Nikkaji Number:J308.160E
Mol file:3529-87-1.mol

Synonyms:4-Phenoxyphenyl isothiocyanate;3529-87-1;1-Isothiocyanato-4-phenoxybenzene;4-phenoxyphenylisothiocyanate;4-(Phenoxy)phenyl isothiocyanate;Benzene, 1-isothiocyanato-4-phenoxy-;4-Isothiocyanato-diphenyl ether;4-Isothiocyanate diphenyl ether;4-phenoxyphenyl-isothiocyanate;SCHEMBL3823434;DTXSID50188781;HMS1784P13;BBL012524;MFCD00060376;STK742099;AKOS000115251;BP-12530;VS-03370;FT-0676396;EN300-01228;F20944;A822718;5-BROMOBENZOFURAN-2-CARBOXYLICACIDMETHYLESTER;Z56822786

Suppliers and Price of 1-Isothiocyanato-4-phenoxybenzene

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
1-Isothiocyanato-4-phenoxybenzene
500mg
$ 75.00

SynQuest Laboratories
4-Phenoxyphenyl isothiocyanate 98%
1 g
$ 59.00

SynQuest Laboratories
4-Phenoxyphenyl isothiocyanate 98%
5 g
$ 142.00

Oakwood
4-Phenoxyphenylisothiocyanate 97%
250mg
$ 15.00

Oakwood
4-Phenoxyphenylisothiocyanate 97%
25g
$ 229.00

Matrix Scientific
4-Phenoxyphenyl isothiocyanate 98%
25g
$ 228.00

Matrix Scientific
4-Phenoxyphenyl isothiocyanate 98%
5g
$ 50.00

American Custom Chemicals Corporation
4-PHENOXYPHENYL ISOTHIOCYANATE 95.00%
5G
$ 848.93

AK Scientific
4-Phenoxyphenylisothiocyanate
5g
$ 69.00

AK Scientific
4-Phenoxyphenylisothiocyanate
1g
$ 30.00

Total 20 raw suppliers

Chemical Property of 1-Isothiocyanato-4-phenoxybenzene

Chemical Property:

Vapor Pressure:8.37E-05mmHg at 25°C
Melting Point:42 °C
Refractive Index:1.59
Boiling Point:351.4 °C at 760 mmHg
Flash Point:166.3 °C
PSA：53.68000
Density:1.11 g/cm³
LogP:4.21320
Storage Temp.:Keep Cold
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:249

Purity/Quality:

97% ^*data from raw suppliers

1-Isothiocyanato-4-phenoxybenzene ^*data from reagent suppliers

Safty Information:

Pictogram(s): T
Hazard Codes:T
Statements: 20/21/22-36/37/38
Safety Statements: 26-36/37/39

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)OC2=CC=C(C=C2)N=C=S

Technology Process of 1-Isothiocyanato-4-phenoxybenzene

There total 10 articles about 1-Isothiocyanato-4-phenoxybenzene 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: 76.0%

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

: 139-59-3
4-phenoxyanilin

: 3529-87-1
4-phenoxyphenyl isothiocyanate

Guidance literature:: carbon disulfide; 4-phenoxyanilin; With triethylamine; In tetrahydrofuran; at 0 - 20 ℃;

With dmap; di-tert-butyl dicarbonate; In tetrahydrofuran; at 0 ℃; for 2h;
DOI:10.1021/acs.jmedchem.7b01760

Reference yield:

: C₁₃H₁₁NOS₂*C₆H₁₂N₂

: 3529-87-1
4-phenoxyphenyl isothiocyanate

Guidance literature:: With bis(trichloromethyl) carbonate; In chloroform; at 0 - 20 ℃;
DOI:10.3390/molecules24152780

Reference yield:

: 620-88-2
4-nitrophenyl phenyl ether

: 3529-87-1
4-phenoxyphenyl isothiocyanate

Guidance literature:: Multi-step reaction with 2 steps

1: Raney nickel; isopropyl alcohol / Hydrogenation

2: aqueous NaOH-solution / Behandeln des Reaktionsgemisches mit Ble(II)-nitrat und Calciumcarbonat

With sodium hydroxide; nickel; isopropyl alcohol;