3-Fluorobenzyl isothiocyanate

Base Information

Chemical Name:3-Fluorobenzyl isothiocyanate
CAS No.:63351-94-0
Molecular Formula:C8H6FNS
Molecular Weight:167.207
Hs Code.:2930909090
European Community (EC) Number:670-586-6
DSSTox Substance ID:DTXSID80371962
Nikkaji Number:J267.393B
ChEMBL ID:CHEMBL3409227

Synonyms:3-Fluorobenzyl isothiocyanate;63351-94-0;1-fluoro-3-(isothiocyanatomethyl)benzene;3-Fluorobenzylisothiocyanate;CHEMBL3409227;Benzene,1-fluoro-3-(isothiocyanatomethyl)-;ammoniumhydrogentartrate;SCHEMBL1551628;DTXSID80371962;CCKNPKNHNFDGND-UHFFFAOYSA-N;BDBM50073663;MFCD00060406;AKOS000343429;FS-4130;PD138986;1-fluoranyl-3-(isothiocyanatomethyl)benzene;FT-0615726;A834341

Suppliers and Price of 3-Fluorobenzyl 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-FluorobenzylIsothiocyanate
10mg
$ 45.00

TRC
3-FluorobenzylIsothiocyanate
50mg
$ 60.00

SynQuest Laboratories
3-Fluorobenzylisothiocyanate 99%
1 g
$ 54.00

SynQuest Laboratories
3-Fluorobenzylisothiocyanate 99%
5 g
$ 219.00

Matrix Scientific
3-Fluorobenzyl isothiocyanate 97%
5g
$ 87.00

Matrix Scientific
3-Fluorobenzyl isothiocyanate 97%
1g
$ 23.00

Apolloscientific
3-Fluorobenzylisothiocyanate 97%
1g
$ 66.00

Apolloscientific
3-Fluorobenzylisothiocyanate 97%
5g
$ 261.00

American Custom Chemicals Corporation
3-FLUOROBENZYL ISOTHIOCYANATE 95.00%
5G
$ 1012.70

American Custom Chemicals Corporation
3-FLUOROBENZYL ISOTHIOCYANATE 95.00%
1G
$ 642.99

Total 24 raw suppliers

Chemical Property of 3-Fluorobenzyl isothiocyanate

Chemical Property:

Vapor Pressure:0.0543mmHg at 25°C
Refractive Index:1.545
Boiling Point:241.9 °C at 760 mmHg
Flash Point:100.1 °C
PSA：44.45000
Density:1.12 g/cm³
LogP:2.42850
Storage Temp.:Keep Cold
Sensitive.:Moisture Sensitive/Lachrymatory
XLogP3:3.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:167.02049853
Heavy Atom Count:11
Complexity:166

Purity/Quality:

97% ^*data from raw suppliers

3-FluorobenzylIsothiocyanate ^*data from reagent suppliers

Safty Information:

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

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC(=C1)F)CN=C=S

Technology Process of 3-Fluorobenzyl isothiocyanate

There total 3 articles about 3-Fluorobenzyl 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: 84.0%

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

: 100-82-3
(3-fluorophenyl)methanamine

: 63351-94-0
1-fluoro-3-(isothiocyanatomethyl)benzene

Guidance literature:: carbon disulfide; (3-fluorophenyl)methanamine; With triethylamine; In tetrahydrofuran; at 20 ℃; for 3.5h; Cooling with ice; Inert atmosphere;

With p-toluenesulfonyl chloride; In tetrahydrofuran; for 3h; Cooling with ice;

Reference yield:

: 100-82-3
(3-fluorophenyl)methanamine

: 463-71-8
thiophosgene

: 7440-44-0
pyrographite

: 63351-94-0
1-fluoro-3-(isothiocyanatomethyl)benzene

Guidance literature:: With triethylamine; In tetrahydrofuran;

Reference yield:

: 63351-94-0
1-fluoro-3-(isothiocyanatomethyl)benzene

Guidance literature:: With triethylamine; In tetrahydrofuran; for 1h; Cooling with ice;

With p-toluenesulfonyl chloride; In tetrahydrofuran; for 1h; Cooling with ice;