1-Isocyanato-2-methoxy-4-nitrobenzene

Base Information

• Chemical Name: 1-Isocyanato-2-methoxy-4-nitrobenzene
• CAS No.: 33484-67-2
• Molecular Formula: C8H6 N2 O4
• Molecular Weight: 194.147
• Hs Code.: 2929109000
• European Community (EC) Number: 622-984-6
• DSSTox Substance ID: DTXSID70392989
• Wikidata: Q27127050
• Metabolomics Workbench ID: 60957
• Mol file: 33484-67-2.mol

Synonyms:1-isocyanato-2-methoxy-4-nitrobenzene;33484-67-2;2-Methoxy-4-nitrophenyl isocyanate;2-methoxy-4-nitrophenylisocyanate;2-isocyanato-5-nitrophenyl methyl ether;CHEBI:60066;Epitope ID:140102;SCHEMBL1147043;DTXSID70392989;VOTZJLLPYYCZRY-UHFFFAOYSA-N;2-methoxy-4-nitrophenyl iso-cyanate;BBL037657;MFCD00037066;STK502558;AKOS000265482;AKOS015912812;VS-14347;2-Methoxy-4-nitrophenyl isocyanate, 97%;EN300-270975;J-019208;Q27127050

Chemical Property of 1-Isocyanato-2-methoxy-4-nitrobenzene

Chemical Property:

• Vapor Pressure: 0.00017mmHg at 25°C
• Melting Point: 113-116 °C(lit.)
• Refractive Index: 1.566
• Boiling Point: 330.1°C at 760 mmHg
• Flash Point: 153.4°C
• PSA: 84.48000
• Density: 1.33g/cm³
• LogP: 2.09390
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 194.03275668
• Heavy Atom Count: 14
• Complexity: 257

Purity/Quality:

98%min ^*data from raw suppliers

1-isocyanato-2-methoxy-4-nitrobenzene ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC1=C(C=CC(=C1)[N+](=O)[O-])N=C=O

Technology Process of 1-Isocyanato-2-methoxy-4-nitrobenzene

There total 2 articles about 1-Isocyanato-2-methoxy-4-nitrobenzene 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:

phosgene (75-44-5) + 2-methoxy-4-nitrophenylamine (97-52-9) → 2-methoxy-4-nitrophenyl isocyanate (33484-67-2)

Guidance literature:

With chlorobenzene;

Reference yield:

→ 2-methoxy-4-nitrophenyl isocyanate (33484-67-2)

Guidance literature:

2-Methoxy-4-nitroanilin, COCl2, Toluol;

Reference yield: 98.0%

3-amino-5-tert-butylisoxazole (55809-36-4) + 2-methoxy-4-nitrophenyl isocyanate (33484-67-2) → 1-(5-tert-butylisoxazol-3-yl)-3-(2-methoxy-4-nitrophenyl)urea (905645-92-3)

Guidance literature:

In tetrahydrofuran; at 65 ℃; for 3h;

upstream raw materials:

phosgene

2-methoxy-4-nitrophenylamine

Downstream raw materials:

(2-methoxy-4-nitro-phenyl)-carbamic acid methyl ester

N-(2-methoxy-4-nitro-phenyl)-N'-(2-methoxy-phenyl)-urea

N,N'-bis-(2-methoxy-4-nitro-phenyl)-urea

1-(2-methoxy-4-nitrophenyl)-3-pyrazin-2-yl-urea