4-Fluoro-2-nitrophenyl isocyanate

Base Information

• Chemical Name: 4-Fluoro-2-nitrophenyl isocyanate
• CAS No.: 190774-51-7
• Molecular Formula: C₇H₃FN₂O₃
• Molecular Weight: 182.111
• Hs Code.: 2929109000
• European Community (EC) Number: 633-777-5
• DSSTox Substance ID: DTXSID50369876
• Mol file: 190774-51-7.mol

Synonyms:4-Fluoro-2-nitrophenyl isocyanate;190774-51-7;4-fluoro-1-isocyanato-2-nitrobenzene;Benzene, 4-fluoro-1-isocyanato-2-nitro-;SCHEMBL1019385;DTXSID50369876;4-Fluoro-2-nitrophenyl isocyanate, 95%;J-012316

Chemical Property of 4-Fluoro-2-nitrophenyl isocyanate

Chemical Property:

• Vapor Pressure: 0.00392mmHg at 25°C
• Melting Point: 50-55 °C
• Boiling Point: 78 °C (0.3 mmHg)
• Flash Point: 123.1°C
• PSA: 75.25000
• Density: 1.43g/cm³
• LogP: 2.22440
• Storage Temp.: 2-8°C
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 182.01277012
• Heavy Atom Count: 13
• Complexity: 247

Purity/Quality:

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

4-Fluoro-2-nitrophenyl isocyanate 95% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 36/37/38-20/21/22
• Safety Statements: 37/39-26-36-22

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=C(C=C1F)[N+](=O)[O-])N=C=O

Technology Process of 4-Fluoro-2-nitrophenyl isocyanate

There total 2 articles about 4-Fluoro-2-nitrophenyl isocyanate 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%

→ 1-isocyanato-4-fluoro-2-nitrobenzene (190774-51-7)

Guidance literature:

With triethylamine; In ethyl acetate; at 0 - 80 ℃; for 19.33h; Inert atmosphere;

Reference yield:

bis(trichloromethyl) carbonate (32315-10-9) + 2-nitro-4-fluoroaniline (364-78-3) → 1-isocyanato-4-fluoro-2-nitrobenzene (190774-51-7)

Guidance literature:

In dichloromethane; at 15 ℃; Reflux;

Reference yield:

4-(4-aminophenoxy)-N-methylpyridine-2-carboxamide (284462-37-9) + 1-isocyanato-4-fluoro-2-nitrobenzene (190774-51-7) → 4-[4-[[[[4-fluoro-2-nitrophenyl]amino]carbonyl]amino]phenoxy]-N-methylpyridine-2-carboxamide (1285533-82-5)

Guidance literature:

In acetone; at 20 - 40 ℃;

upstream raw materials:

bis(trichloromethyl) carbonate

2-nitro-4-fluoroaniline

Downstream raw materials:

4-[4-[[[[4-fluoro-2-nitrophenyl]amino]carbonyl]amino]phenoxy]-N-methylpyridine-2-carboxamide

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