Benzeneacetonitrile, 3,5-difluoro-a-hydroxy-

Base Information

Chemical Name:Benzeneacetonitrile, 3,5-difluoro-a-hydroxy-
CAS No.:132741-32-3
Molecular Formula:C₈H₅F₂NO
Molecular Weight:169.131
Hs Code.:
DSSTox Substance ID:DTXSID101269432
Mol file:132741-32-3.mol

Synonyms:132741-32-3;Benzeneacetonitrile, 3,5-difluoro-a-hydroxy-;3,5-difluoromandelonitrile;SCHEMBL9558453;JDPJXNHYKGCGSY-UHFFFAOYSA-N;DTXSID101269432;3,5-Difluoro-I+/--hydroxybenzeneacetonitrile

Suppliers and Price of Benzeneacetonitrile, 3,5-difluoro-a-hydroxy-

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
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Total 0 raw suppliers

Chemical Property of Benzeneacetonitrile, 3,5-difluoro-a-hydroxy-

Chemical Property:

Vapor Pressure:0.00379mmHg at 25°C
Boiling Point:268.5±35.0 °C(Predicted)
PKA:9.89±0.20(Predicted)
Density:1.382±0.06 g/cm3(Predicted)
XLogP3:1.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:169.03392011
Heavy Atom Count:12
Complexity:191

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=C(C=C(C=C1F)F)C(C#N)O

Technology Process of Benzeneacetonitrile, 3,5-difluoro-a-hydroxy-

There total 3 articles about Benzeneacetonitrile, 3,5-difluoro-a-hydroxy- 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: 81.0%

: 32085-88-4
3,5-difluorobenzaldehyde

: 143-33-9,25596-52-5
sodium cyanide

: 132741-32-3
3,5-difluoromandelonitrile

Guidance literature:: With sodium hydrogensulfite;
DOI:10.1016/j.bmcl.2007.07.062

Reference yield:

: 32085-88-4
3,5-difluorobenzaldehyde

: 132741-32-3
3,5-difluoromandelonitrile

Guidance literature:: With sodium hydrogensulfite; In water;

Reference yield:

: 773837-37-9
sodium cyanide

: 32085-88-4
3,5-difluorobenzaldehyde

: 132741-32-3
3,5-difluoromandelonitrile

Guidance literature:: 3,5-difluorobenzaldehyde; With water; sodium hydrogensulfite; In diethyl ether; at 20 ℃; for 2h;

sodium cyanide; In diethyl ether; at 20 ℃;
DOI:10.1016/j.tetlet.2014.02.095