4-Nitrobutanenitrile

Base Information

Chemical Name:4-Nitrobutanenitrile
CAS No.:58763-41-0
Molecular Formula:C4H6N2O2
Molecular Weight:114.104
Hs Code.:
DSSTox Substance ID:DTXSID70476218
Nikkaji Number:J1.738.620D
Wikidata:Q82307250

Synonyms:4-nitrobutanenitrile;58763-41-0;1-Cyano-3-nitro-propan;SCHEMBL7592980;DTXSID70476218

Suppliers and Price of 4-Nitrobutanenitrile

Supply Marketing:

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

Manufacturers and distributors:

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Total 0 raw suppliers

Chemical Property of 4-Nitrobutanenitrile

Chemical Property:

PSA：69.61000
LogP:1.09008
XLogP3:0.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:114.042927438
Heavy Atom Count:8
Complexity:118

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 4-Nitrobutanenitrile

There total 1 articles about 4-Nitrobutanenitrile 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:

: 75-52-5
nitromethane

: 107-13-1,25014-41-9
acrylonitrile

: 58763-41-0
4-nitrobutanenitrile

: 1466-48-4
tris(2-cyanoethyl)nitromethane

Guidance literature:: in Gegenwart von alkal.Katalysatoren;

Reference yield: 95.2%

: 58763-41-0
4-nitrobutanenitrile

: 32754-99-7
4-aminobutyronitrile

Guidance literature:: With 5%-palladium/activated carbon; hydrogen; In methanol; water; at 20 - 25 ℃; for 4h; under 1520.1 - 3040.2 Torr; Solvent; Reagent/catalyst; Temperature; Autoclave;

Reference yield: 34.0%

: 58763-41-0
4-nitrobutanenitrile

: 626-62-0
Cyclohexyl iodide

: C₁₀H₁₆N₂O₂

Guidance literature:: With (2,9-dimethyl-4,7-diphenyl-1,10-phenantroline)NiBr₂; potassium tert-butylate; diethylzinc; In 1,4-dioxane; tert-butyl methyl ether; at 40 ℃; for 23h; Inert atmosphere; Sealed tube; Glovebox;
DOI:10.1021/jacs.7b04312