4-Methoxybenzyl isothiocyanate

Base Information

Chemical Name:4-Methoxybenzyl isothiocyanate
CAS No.:3694-57-3
Molecular Formula:C9H9NOS
Molecular Weight:179.243
Hs Code.:2930909090
European Community (EC) Number:671-089-7
UNII:2PA7V3TJK2
DSSTox Substance ID:DTXSID80190438
Nikkaji Number:J410.614H
Pharos Ligand ID:Y72QUNVQXAD3
Metabolomics Workbench ID:45626
ChEMBL ID:CHEMBL81201
Mol file:3694-57-3.mol

Synonyms:4-Methoxybenzyl isothiocyanate;3694-57-3;1-(Isothiocyanatomethyl)-4-methoxybenzene;4-methoxybenzylisothiocyanate;Benzene, 1-(isothiocyanatomethyl)-4-methoxy-;MFCD00041117;p-methoxybenzyl isothiocyanate;2PA7V3TJK2;CHEMBL81201;1-(isothiocyanatomethyl)-4-methoxy-benzene;4-Methoxybenzyl Isothiocyanate, 96% 5Gr;1-Isothiocyanatomethyl-4-methoxy-benzene;UNII-2PA7V3TJK2;Phenethylidene-Malononitrile;SCHEMBL354853;DTXSID80190438;AMY21067;AC1241;BBL027966;BDBM50073650;STK801398;AKOS000212551;FS-4714;NCGC00184582-01;SY101170;4-methoxybenzyl isothiocyanate, AldrichCPR;1-(Isothiocyanatomethyl)-4-methoxybenzene #;FT-0605831;EN300-12134;1-ISOTHIOCYANATOMETHYL-4-METHOXYBENZENE;1-(Isothiocyanatomethyl)-4-methoxybenzene, 9CI;A823473;J-640220;J-800221;W-200329;F2196-0044;Z104482850;(4-methoxyphenyl)methyl-(thioxomethylene)ammonium;4-Methoxybenzyl Isothiocyanate

Suppliers and Price of 4-Methoxybenzyl 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

Usbiological
4-Methoxybenzyl isothiocyanate
50mg
$ 446.00

TRC
4-MethoxybenzylIsothiocyanate
100mg
$ 140.00

SynQuest Laboratories
4-Methoxybenzyl isothiocyanate
5 g
$ 157.00

SynQuest Laboratories
4-Methoxybenzyl isothiocyanate
1 g
$ 66.00

Oakwood
4-Methoxybenzyl isothiocyanate
5g
$ 75.00

Oakwood
4-Methoxybenzyl isothiocyanate
1g
$ 25.00

Matrix Scientific
4-Methoxybenzyl isothiocyanate 98%
1g
$ 25.00

Matrix Scientific
4-Methoxybenzyl isothiocyanate 98%
5g
$ 83.00

American Custom Chemicals Corporation
4-METHOXYBENZYL ISOTHIOCYANATE 95.00%
100MG
$ 739.20

American Custom Chemicals Corporation
4-METHOXYBENZYL ISOTHIOCYANATE 95.00%
1G
$ 1871.10

Total 24 raw suppliers

Chemical Property of 4-Methoxybenzyl isothiocyanate

Chemical Property:

Appearance/Colour:clear yellow liquid
Vapor Pressure:0.00338mmHg at 25°C
Refractive Index:1.591-1.598
Boiling Point:291.5°Cat760mmHg
Flash Point:130.1°C
PSA：53.68000
Density:1.06g/cm³
LogP:2.29800
Storage Temp.:-20°C
Sensitive.:Moisture Sensitive
Solubility.:DMSO, Ethyl Acetate (Slightly)
Water Solubility.:Hydrolyzes in water.
XLogP3:3.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:179.04048508
Heavy Atom Count:12
Complexity:169

Purity/Quality:

97% ^*data from raw suppliers

4-Methoxybenzyl isothiocyanate ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xn
Hazard Codes:Xn,Xi
Statements: 36/37/38-20/21/22-43-36
Safety Statements: 36/37/39-26-36/37

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=CC=C(C=C1)CN=C=S
Uses 4-Methoxybenzyl isothiocyanate is used as pharmaceutical intermediates.

Technology Process of 4-Methoxybenzyl isothiocyanate

There total 23 articles about 4-Methoxybenzyl 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: 96.0%

: C₉H₁₁NS₂O*C₆H₁₅N

: 3694-57-3
1-(isothiocyanatomethyl)-4-methoxybenzene

Guidance literature:: With p-toluenesulfonyl chloride; In tetrahydrofuran; at 0 - 22 ℃; for 1h;
DOI:10.1021/jo070246n

Reference yield: 93.0%

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

: 2393-23-9
4-methoxy-benzylamine

: 3694-57-3
1-(isothiocyanatomethyl)-4-methoxybenzene

Guidance literature:: carbon disulfide; 4-methoxy-benzylamine; With triethylamine; In tetrahydrofuran; at 0 - 20 ℃; for 1.75h;

With p-toluenesulfonyl chloride; In tetrahydrofuran; at 0 - 20 ℃; for 1h;
DOI:10.1021/jm300426q