2-(4-Isothiocyanatophenyl)ethanol

Base Information

Chemical Name:2-(4-Isothiocyanatophenyl)ethanol
CAS No.:302577-18-0
Molecular Formula:C9H9 N O S
Molecular Weight:179.23886
Hs Code.:2930909090
DSSTox Substance ID:DTXSID30441003
Nikkaji Number:J1.470.337C
Mol file:302577-18-0.mol

Synonyms:2-(4-isothiocyanatophenyl)ethanol;302577-18-0;Benzeneethanol,4-isothiocyanato-;4-(2-hydroxyethyl)phenyl isothiocyanate;DTXSID30441003;Benzeneethanol, 4-isothiocyanato-;AKOS006277183;Benzeneethanol,4-isothiocyanato-(9ci)

Suppliers and Price of 2-(4-Isothiocyanatophenyl)ethanol

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
2-(4-ISOTHIOCYANATOPHENYL)ETHAN-1-OL 95.00%
5MG
$ 503.53

Total 2 raw suppliers

Chemical Property of 2-(4-Isothiocyanatophenyl)ethanol

Chemical Property:

Boiling Point:326.3±25.0 °C(Predicted)
PKA:14.73±0.10(Predicted)
PSA：64.68000
Density:1.12±0.1 g/cm3(Predicted)
LogP:1.95570
XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:179.04048508
Heavy Atom Count:12
Complexity:169

Purity/Quality:

95%-98% ^*data from raw suppliers

2-(4-ISOTHIOCYANATOPHENYL)ETHAN-1-OL 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC=C1CCO)N=C=S

Technology Process of 2-(4-Isothiocyanatophenyl)ethanol

There total 3 articles about 2-(4-Isothiocyanatophenyl)ethanol 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%

: 302576-99-4
2-(4-((phenoxythioxomethyl)amino)phenyl)methan-1-ol

: 302577-18-0
4-(2-hydroxyethyl)phenyl isothiocyanate

Guidance literature:: With trichlorosilane; triethylamine; In benzene; at 20 ℃; for 1h;
DOI:10.1021/jo000139s

Reference yield: 87.0%

: 96989-50-3
di-2-pyridyl thionocarbonate

: 104-10-9
2-(4'-aminophenyl)ethyl alcohol

: 302577-18-0
4-(2-hydroxyethyl)phenyl isothiocyanate

Guidance literature:: In dichloromethane; at 25 ℃; for 24h;
DOI:10.1021/jm020361k

Reference yield:

: 104-10-9
2-(4'-aminophenyl)ethyl alcohol

: 302577-18-0
4-(2-hydroxyethyl)phenyl isothiocyanate

Guidance literature:: Multi-step reaction with 2 steps

1: 75 percent / tetrahydrofuran / 0.5 h / 20 °C

2: 100 percent / Et₃N; HSiCl₃ / benzene / 1 h / 20 °C

With trichlorosilane; triethylamine; In tetrahydrofuran; benzene; 1: Condensation / 2: Elimination;
DOI:10.1021/jo000139s