3,4-Dimethoxybenzyl isothiocyanate

Base Information

Chemical Name:3,4-Dimethoxybenzyl isothiocyanate
CAS No.:14596-50-0
Molecular Formula:C10H11 N O2 S
Molecular Weight:209.269
Hs Code.:2930909090
European Community (EC) Number:674-254-1
DSSTox Substance ID:DTXSID10374305
Nikkaji Number:J2.376.675B
Mol file:14596-50-0.mol

Synonyms:3,4-Dimethoxybenzyl isothiocyanate;14596-50-0;4-(isothiocyanatomethyl)-1,2-dimethoxybenzene;1-(2,6-Dimethoxybenzyl isothiocyanate;Benzene, 4-(isothiocyanatomethyl)-1,2-dimethoxy-;4-(isothiocyanatomethyl)-1,2-dimethoxy-benzene;SCHEMBL6791849;3,4-Dimethoxybenzylisothiocyanate;DTXSID10374305;MTKPIGBIMQONMN-UHFFFAOYSA-N;MFCD00060409;AKOS009075750;AT21459;FT-0637109;EN300-23390;A808434;J-008176

Suppliers and Price of 3,4-Dimethoxybenzyl 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
3,4-DimethoxybenzylIsothiocyanate
1g
$ 550.00

TRC
3,4-DimethoxybenzylIsothiocyanate
500mg
$ 325.00

TRC
3,4-DimethoxybenzylIsothiocyanate
100mg
$ 85.00

Matrix Scientific
3,4-Dimethoxybenzyl isothiocyanate
1g
$ 70.00

AK Scientific
3,4-Dimethoxybenzylisothiocyanate
1g
$ 144.00

AHH
1-(2,6-Dimethoxybenzylisothiocyanate 98%
50g
$ 413.00

Total 14 raw suppliers

Chemical Property of 3,4-Dimethoxybenzyl isothiocyanate

Chemical Property:

Vapor Pressure:0.000638mmHg at 25°C
Melting Point:29-32°C
Refractive Index:1.532
Boiling Point:319.3°Cat760mmHg
Flash Point:146.9°C
PSA：62.91000
Density:1.1g/cm³
LogP:2.30660
XLogP3:2.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:209.05104977
Heavy Atom Count:14
Complexity:216

Purity/Quality:

97% ^*data from raw suppliers

3,4-DimethoxybenzylIsothiocyanate ^*data from reagent suppliers

Safty Information:

Pictogram(s): R20/21/22-36/37/38:;
Hazard Codes:R20/21/22-36/37/38:;
Statements: 20/21/22-36/37/38
Safety Statements: 26-36/37/39

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=C(C=C(C=C1)CN=C=S)OC
Uses 3,4-Dimethoxybenzyl isothiocyanate (cas# 14596-50-0) is used for providing stability of benzylic-type isothiocyanates in hydrodistillation-mimicking conditions

Technology Process of 3,4-Dimethoxybenzyl isothiocyanate

There total 1 articles about 3,4-Dimethoxybenzyl 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: 100.0%

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

: 5763-61-1
3,4-dimethoxybenzylamine

: 14596-50-0
3,4-dimethoxybenzyl isothiocyanate

Guidance literature:: carbon disulfide; 3,4-dimethoxybenzylamine; With sodium hydroxide; In water; at 75 - 80 ℃; for 1.75h;

With chloroformic acid ethyl ester; In water; at 45 ℃; for 2h; pH=8;