2,6-Difluoro-3-nitrobenzonitrile

Base Information

• Chemical Name: 2,6-Difluoro-3-nitrobenzonitrile
• CAS No.: 143879-77-0
• Molecular Formula: C7H2F2N2O2
• Molecular Weight: 184.102
• Hs Code.: 2926909090
• European Community (EC) Number: 642-648-2
• DSSTox Substance ID: DTXSID80371785
• Nikkaji Number: J2.166.871K
• Wikidata: Q72463547
• Mol file: 143879-77-0.mol

Synonyms:2,6-Difluoro-3-nitrobenzonitrile;143879-77-0;Benzonitrile, 2,6-difluoro-3-nitro-;2,4-difluoro-3-cyanonitrobenzene;MFCD00042254;SCHEMBL1361699;DTXSID80371785;JQHDRFKDZHGEBQ-UHFFFAOYSA-N;STL183291;AKOS000266569;AB01912;AC-4067;AM61308;CS-W002207;DS-12144;SY016818;D5185;FT-0602316;EN300-97362

Chemical Property of 2,6-Difluoro-3-nitrobenzonitrile

Chemical Property:

• Appearance/Colour: pale yellow solid
• Vapor Pressure: 0.0101mmHg at 25°C
• Melting Point: 50 °C
• Refractive Index: 1.529
• Boiling Point: 263.7 °C at 760 mmHg
• Flash Point: 113.3 °C
• PSA: 69.61000
• Density: 1.51 g/cm³
• LogP: 2.26788
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 184.00843363
• Heavy Atom Count: 13
• Complexity: 257

Purity/Quality:

99% min ^*data from raw suppliers

2,6-Difluoro-3-nitrobenzonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,6-Difluoro-3-nitrobenzonitrile

There total 1 articles about 2,6-Difluoro-3-nitrobenzonitrile 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:

2,6 difluorobenzonitrile (1897-52-5) → 2,6-difluoro-3-nitrobenzonitrile (143879-77-0)

Guidance literature:

With sulfuric acid; nitric acid; at -10 - 20 ℃; for 5h; Temperature;

Reference yield: 98.0%

2,6-difluoro-3-nitrobenzonitrile (143879-77-0) → 2-amino-6-fluoro-3-nitrobenzonitrile (1378862-33-9)

Guidance literature:

With ammonia; In ethanol; at 0 ℃; for 1h; Inert atmosphere;

Reference yield: 96.0%

2,6-difluoro-3-nitrobenzonitrile (143879-77-0) → 2,6-difluoro-3-nitrobenzoic acid (83141-10-0)

Guidance literature:

2,6-difluoro-3-nitrobenzonitrile; With water; sulfuric acid; at 120 ℃; for 2h;

With water; sodium nitrite; at 20 - 80 ℃; for 1h;

upstream raw materials:

2,6 difluorobenzonitrile

Downstream raw materials:

3-amino-2,6-difluoro-benzonitrile

6-fluoro-3-nitro-2-phenoxybenzonitrile

2-fluoro-3-nitro-6-phenoxybenzonitrile

2,6-difluoro-3-nitrobenzoic acid

Refernces

• 1、 -. "Medicine intermediate 2,6-difluoro-3-morpholinophenyl methylamine and preparation method thereof". Paragraph 0025; 0026; 0027; 0039; 0045. . Retrieved 2017/06/02.