4-(2-Chloro-1-hydroxyethyl)benzonitrile

Base Information

Chemical Name:4-(2-Chloro-1-hydroxyethyl)benzonitrile
CAS No.:16508-11-5
Molecular Formula:C9H8 Cl N O
Molecular Weight:181.622
Hs Code.:
DSSTox Substance ID:DTXSID00596670
Nikkaji Number:J3.562.759F
Mol file:16508-11-5.mol

Synonyms:4-(2-Chloro-1-hydroxyethyl)benzonitrile;16508-11-5;Benzonitrile, 4-(2-chloro-1-hydroxyethyl)- (9CI);SCHEMBL7105483;DTXSID00596670;AKOS017516335;DB-274668;Benzonitrile, 4-(2-chloro-1-hydroxyethyl)-;EN300-1968509

Suppliers and Price of 4-(2-Chloro-1-hydroxyethyl)benzonitrile

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

Total 3 raw suppliers

Chemical Property of 4-(2-Chloro-1-hydroxyethyl)benzonitrile

Chemical Property:

Boiling Point:346.3±32.0 °C(Predicted)
PKA:12.84±0.20(Predicted)
PSA：44.02000
Density:1.27±0.1 g/cm3(Predicted)
LogP:1.83048
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:181.0294416
Heavy Atom Count:12
Complexity:178

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC=C1C#N)C(CCl)O

Technology Process of 4-(2-Chloro-1-hydroxyethyl)benzonitrile

There total 3 articles about 4-(2-Chloro-1-hydroxyethyl)benzonitrile 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: 90.0%

: 593-71-5
Chloroiodomethane

: 105-07-7
4-cyanobenzaldehyde

: 16508-11-5
4-(2-chloro-1-hydroxy-ethyl)-benzonitrile

Guidance literature:: Chloroiodomethane; With TurboGrignard; In tetrahydrofuran; at -20 ℃; for 0.000277778h; Flow reactor;

4-cyanobenzaldehyde; In tetrahydrofuran; at -20 ℃; for 0.000444444h; Flow reactor;
DOI:10.1021/acs.orglett.0c02725

Reference yield: 61.0%

: 4-(1,2-dihydroxyethyl)benzonitrile

: 16508-11-5
4-(2-chloro-1-hydroxy-ethyl)-benzonitrile

: 4-(1-chloro-2-hydroxyethyl)benzonitrile

Guidance literature:: With Vilsmeier reagent; In dichloromethane; at 40 ℃; for 12h; regioselective reaction; Inert atmosphere; Schlenk technique;
DOI:10.1016/j.tet.2020.131114

Reference yield: 12.0%

: 4-(1,2-dihydroxyethyl)benzonitrile

: 16508-11-5
4-(2-chloro-1-hydroxy-ethyl)-benzonitrile

Guidance literature:: With Vilsmeier reagent; In dichloromethane; at 40 ℃; for 12h; regioselective reaction; Inert atmosphere; Schlenk technique;
DOI:10.1016/j.tet.2020.131114