2,4-Dinitrobenzonitrile

Base Information

• Chemical Name: 2,4-Dinitrobenzonitrile
• CAS No.: 4110-33-2
• Molecular Formula: C7H3N3O4
• Molecular Weight: 193.119
• Hs Code.: 2926909090
• European Community (EC) Number: 624-748-8
• DSSTox Substance ID: DTXSID40339144
• Nikkaji Number: J1.065.267G
• Wikidata: Q82107968
• Mol file: 4110-33-2.mol

Synonyms:2,4-Dinitrobenzonitrile;4110-33-2;2,4-Dinitro-benzonitrile;SCHEMBL82629;1-Cyano-2,4-dinitrobenzene;2,4-Dinitrobenzonitrile, 97%;DTXSID40339144;MFCD00465665;2 4-DINITROBENZONITRILE 97;AKOS015889020;AKOS022182259;CS-0138002

Chemical Property of 2,4-Dinitrobenzonitrile

Chemical Property:

• Vapor Pressure: 1.88E-06mmHg at 25°C
• Melting Point: 100-103oC(lit.)
• Boiling Point: 395.1oC at 760 mmHg
• Flash Point: 55 °F
• PSA: 115.43000
• Density: 1.55g/cm3
• LogP: 2.42108
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 193.01235559
• Heavy Atom Count: 14
• Complexity: 296

Purity/Quality:

98%,99%, ^*data from raw suppliers

2,4-Dinitrobenzonitrile 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,Xn
• Hazard Codes: F,Xn
• Statements: 11-20/21/22
• Safety Statements: 16-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C#N
• Uses: 2,4-Dinitrobenzonitrile may be used to synthesize N′-hydroxy-2,4-dinitrobenzimidamide.

Technology Process of 2,4-Dinitrobenzonitrile

There total 58 articles about 2,4-Dinitrobenzonitrile 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: 98.0%

2,4-Dinitro-benzaldehyd-N,N-dimethylhydrazon (90535-55-0) → 2,4-dinitrobenzonitrile (4110-33-2)

Guidance literature:

With HOF* CH₃CN; at 0 ℃;

DOI:10.1016/j.tetlet.2006.10.014

Reference yield: 96.0%

(E)-O-p-nitrophenyl-2,4-dinitrobenzaldoxime → 4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + 2,4-dinitrobenzonitrile (4110-33-2)

Guidance literature:

With triethylamine; In water; acetonitrile; at 25 ℃; for 7h; Reagent/catalyst; Kinetics;

DOI:10.5012/bkcs.2013.34.4.1030

Reference yield: 96.0%

2,4-dinitro-benzaldehyde O-(2-chloro-4-nitro-phenyl)-oxime → 2-chloro-4-nitrophenol (619-08-9) + 2,4-dinitrobenzonitrile (4110-33-2)

Guidance literature:

With triethylamine; In water; acetonitrile; at 25 ℃; for 7h; Reagent/catalyst; Kinetics;

DOI:10.5012/bkcs.2013.34.4.1030

upstream raw materials:

2,4-dinitro-benzenediazonium

2,4-dinitro-benzaldehyde-oxime

benzenesulfonamide

2,4-dinitrobenzoic acid

Downstream raw materials:

2-nitro-4-piperidino-benzonitrile

4-nitro-2-p-tolylsulfanyl-benzonitrile

2-nitro-4-p-tolylsulfanyl-benzonitrile

2,4-dinitrobenzamide

Refernces

• 1、 Niknam, Esmaeil,Panahi, Farhad,Khalafi-Nezhad, Ali. "Palladium-Catalyzed Cyanation of Aryl Halides Using Formamide and Cyanuric Chloride as a New “CN” Source". . p. 2699 - 2707. Retrieved 2020/04/08.
• 2、 Wang, Xian-Jin,Zhang, Song-Lin. "Cyanation of aromatic/vinylic boronic acids with α-cyanoacetates". supporting information. p. 14826 - 14830. Retrieved 2017/12/15.