4-ETHOXY-2-NITROPHENYL ISOCYANATE 97

Base Information

• Chemical Name: 4-ETHOXY-2-NITROPHENYL ISOCYANATE 97
• CAS No.: 108128-49-0
• Molecular Formula: C9H8 N2 O4
• Molecular Weight: 208.17
• Hs Code.: 2929109000
• European Community (EC) Number: 634-610-9
• DSSTox Substance ID: DTXSID50394648
• Mol file: 108128-49-0.mol

Synonyms:Isocyanicacid, 4-ethoxy-2-nitrophenyl ester (6CI)

Chemical Property of 4-ETHOXY-2-NITROPHENYL ISOCYANATE 97

Chemical Property:

• Vapor Pressure: 8.35E-05mmHg at 25°C
• Melting Point: 54-58 °C(lit.)
• Refractive Index: 1.558
• Boiling Point: 340.9°C at 760 mmHg
• Flash Point: 50°C
• PSA: 84.48000
• Density: 1.28g/cm³
• LogP: 2.48400
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 208.04840674
• Heavy Atom Count: 15
• Complexity: 270

Purity/Quality:

99%min ^*data from raw suppliers

4-Ethoxy-2-nitrophenyl isocyanate 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,F
• Statements: 10-36/37/38-11
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=CC(=C(C=C1)N=C=O)[N+](=O)[O-]

Technology Process of 4-ETHOXY-2-NITROPHENYL ISOCYANATE 97

There total 3 articles about 4-ETHOXY-2-NITROPHENYL ISOCYANATE 97 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-nitro-4-ethoxyaniline (616-86-4) + trichloromethyl chloroformate (503-38-8) → 4-ethoxy-1-isocyanato-2-nitrobenzene (108128-49-0)

Guidance literature:

In ethyl acetate; for 16h; Reflux;

Reference yield:

4-hydroxy-2-nitroaniline (610-81-1) → 4-ethoxy-1-isocyanato-2-nitrobenzene (108128-49-0)

Guidance literature:

Multi-step reaction with 2 steps

1: caesium carbonate / N,N-dimethyl-formamide / 52 h / 0 - 20 °C

2: ethyl acetate / 16 h / Reflux

With caesium carbonate; In ethyl acetate; N,N-dimethyl-formamide;

Reference yield:

phosgene (75-44-5) + 2-nitro-4-ethoxyaniline (616-86-4) → 4-ethoxy-1-isocyanato-2-nitrobenzene (108128-49-0)

Guidance literature:

upstream raw materials:

phosgene

2-nitro-4-ethoxyaniline

trichloromethyl chloroformate

4-hydroxy-2-nitroaniline

Downstream raw materials:

(4-ethoxy-2-nitro-phenyl)-carbamic acid-(β,β'-bis-diethylamino-isopropyl ester)

Refernces