2-(4-Hydroxy-3-nitrophenyl)butyronitrile

Base Information

Chemical Name:2-(4-Hydroxy-3-nitrophenyl)butyronitrile
CAS No.:51234-22-1
Molecular Formula:C₉H₈N₂O₃
Molecular Weight:192.174
Hs Code.:
European Community (EC) Number:257-068-1
DSSTox Substance ID:DTXSID20965501
Mol file:51234-22-1.mol

Synonyms:2-(4-Hydroxy-3-nitrophenyl)butyronitrile;51234-22-1;EINECS 257-068-1;2-(4-hydroxy-3-nitrophenyl)butanenitrile;DTXSID20965501

Suppliers and Price of 2-(4-Hydroxy-3-nitrophenyl)butyronitrile

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 4 raw suppliers

Chemical Property of 2-(4-Hydroxy-3-nitrophenyl)butyronitrile

Chemical Property:

Vapor Pressure:9.49E-05mmHg at 25°C
Melting Point:78-81 °C
Boiling Point:329.1°Cat760mmHg
PKA:6.45±0.35(Predicted)
Flash Point:152.8°C
PSA：89.84000
Density:1.291g/cm³
LogP:2.84078
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:206.06914219
Heavy Atom Count:15
Complexity:278

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCC(C#N)C1=CC(=C(C=C1)O)[N+](=O)[O-]

Technology Process of 2-(4-Hydroxy-3-nitrophenyl)butyronitrile

There total 4 articles about 2-(4-Hydroxy-3-nitrophenyl)butyronitrile 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:

: 21850-61-3
2-(4-hydroxyphenyl)propanenitrile

: 51234-22-1,66934-21-2
3-nitro-4-hydroxyphenyl-α-methyl-acetonitrile

Guidance literature:: With nitric acid; In acetic acid;
DOI:10.1021/jm00235a012

Reference yield:

12 N-nitric acid: 12 N-nitric acid

: 21850-61-3
2-(4-hydroxyphenyl)propanenitrile

: 51234-22-1,66934-21-2
3-nitro-4-hydroxyphenyl-α-methyl-acetonitrile

Guidance literature:: In acetic acid;

Reference yield:

: 28694-90-8
2-(4-aminophenyl)-propionitrile

: 51234-22-1,66934-21-2
3-nitro-4-hydroxyphenyl-α-methyl-acetonitrile

Guidance literature:: Multi-step reaction with 2 steps

1: (i) NaNO₂, aq. HCl, (ii) aq. H₂SO₄

2: HNO₃ / acetic acid

With nitric acid; In acetic acid;
DOI:10.1021/jm00235a012