m-Nitrophenethyl acetate

Base Information

• Chemical Name: m-Nitrophenethyl acetate
• CAS No.: 68527-46-8
• Molecular Formula: C10H11NO4
• Molecular Weight: 209.202
• European Community (EC) Number: 271-268-6
• UNII: 5MKT2S865H
• DSSTox Substance ID: DTXSID7071600
• Nikkaji Number: J309.151A
• Wikidata: Q81999303
• Mol file: 68527-46-8.mol

Synonyms:m-Nitrophenethyl acetate;68527-46-8;Benzeneethanol, 3-nitro-, acetate (ester);Benzeneethanol, 3-nitro-, 1-acetate;5MKT2S865H;m-Nitrophenethyl alcohol acetate;EINECS 271-268-6;UNII-5MKT2S865H;SCHEMBL4688326;DTXSID7071600;Acetic acid 2-(3-nitrophenyl)ethyl ester;acetic acid 2-(3-nitro-phenyl)-ethyl ester

Chemical Property of m-Nitrophenethyl acetate

Chemical Property:

• Vapor Pressure: 0.000185mmHg at 25°C
• Boiling Point: 328.8°C at 760 mmHg
• Flash Point: 148.5°C
• PSA: 72.12000
• Density: 1.226g/cm³
• LogP: 2.22360
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 209.06880783
• Heavy Atom Count: 15
• Complexity: 236

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OCCC1=CC(=CC=C1)[N+](=O)[O-]

Technology Process of m-Nitrophenethyl acetate

There total 1 articles about m-Nitrophenethyl acetate 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: 85.0%

2-(3-nitrophenyl)ethanol (52022-77-2) + acetic anhydride (108-24-7) → acetic acid 2-(3-nitro-phenyl)-ethyl ester (68527-46-8)

Guidance literature:

In pyridine; at 20 ℃;

Reference yield: 99.0%

acetic acid 2-(3-nitro-phenyl)-ethyl ester (68527-46-8) + 2-(3-nitrophenyl)ethanol (52022-77-2) → acetic acid 2-(3-amino-phenyl)-ethyl ester (690995-22-3)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In ethyl acetate; at 20 ℃; for 1h; under 2585.81 Torr;

upstream raw materials:

2-(3-nitrophenyl)ethanol

acetic anhydride

Downstream raw materials:

acetic acid 2-(3-amino-phenyl)-ethyl ester

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