1-(3-Nitrophenyl)ethyl nitrate

Base Information

• Chemical Name: 1-(3-Nitrophenyl)ethyl nitrate
• CAS No.: 15482-38-9
• Molecular Formula: C8H8 N2 O5
• Molecular Weight: 212.162
• NSC Number: 32705
• DSSTox Substance ID: DTXSID50283649
• Mol file: 15482-38-9.mol

Synonyms:15482-38-9;1-(3-nitrophenyl)ethyl nitrate;NSC32705;DTXSID50283649;NSC-32705

Chemical Property of 1-(3-Nitrophenyl)ethyl nitrate

Chemical Property:

• Vapor Pressure: 0.000756mmHg at 25°C
• Boiling Point: 316.6°C at 760 mmHg
• Flash Point: 148.1°C
• Density: 1.377g/cm³
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 212.04332136
• Heavy Atom Count: 15
• Complexity: 246

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(3-Nitrophenyl)ethyl nitrate

There total 1 articles about 1-(3-Nitrophenyl)ethyl nitrate 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:

1-(3-nitrophenyl)ethanol (5400-78-2) → α-(3-nitrophenyl)ethyl nitrate (15482-38-9)

Guidance literature:

Multi-step reaction with 2 steps

1: SOCl₂ / CHCl₃

2: AgNO₃ / acetonitrile

With thionyl chloride; silver nitrate; In chloroform; acetonitrile;

Reference yield:

α-(3-nitrophenyl)ethyl nitrate (15482-38-9) → 3-(1-hydroxyethyl)aniline (2454-37-7)

Guidance literature:

With hydrogen; nickel; at 18 - 25 ℃; under 3800 - 22800 Torr;

DOI:10.1007/BF02465833

upstream raw materials:

1-(3-nitrophenyl)ethanol

Downstream raw materials:

3-(1-hydroxyethyl)aniline