2-Fluorophenethyl isocyanate

Base Information

• Chemical Name: 2-Fluorophenethyl isocyanate
• CAS No.: 480439-39-2
• Molecular Formula: C9H8FNO
• Molecular Weight: 165.167
• Hs Code.: 2929109000
• European Community (EC) Number: 624-996-7
• DSSTox Substance ID: DTXSID10404595
• Mol file: 480439-39-2.mol

Synonyms:2-Fluorophenethyl isocyanate;480439-39-2;1-fluoro-2-(2-isocyanatoethyl)benzene;SCHEMBL1847577;DTXSID10404595;2-Fluorophenethyl isocyanate, 97%;MFCD04039911;AKOS010078906;AS-59623;EN300-272510

Chemical Property of 2-Fluorophenethyl isocyanate

Chemical Property:

• Vapor Pressure: 0.0676mmHg at 25°C
• Refractive Index: n20/D 1.5030(lit.)
• Boiling Point: 212-213 °C(lit.)
• Flash Point: >230 °F
• PSA: 29.43000
• Density: 1.152 g/mL at 25 °C(lit.)
• LogP: 1.70400
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 165.058992041
• Heavy Atom Count: 12
• Complexity: 177

Purity/Quality:

98%Min ^*data from raw suppliers

2-Fluorophenethyl isocyanate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38-42
• Safety Statements: 23-26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)CCN=C=O)F

Technology Process of 2-Fluorophenethyl isocyanate

There total 1 articles about 2-Fluorophenethyl 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:

bis(trichloromethyl) carbonate (32315-10-9) + [2-(2-fluorophenyl)ethyl]amine (52721-69-4) → C9H8FNO (480439-39-2)

Guidance literature:

In toluene; at 100 ℃; Cooling with ice;

DOI:10.1080/00397910902919522

Reference yield:

C9H8FNO (480439-39-2) + 2,2'-iminobis[ethanol] (111-42-2) → C13H19FN2O3

Guidance literature:

In dichloromethane; at 20 ℃;

DOI:10.1080/00397910902919522

upstream raw materials:

bis(trichloromethyl) carbonate

[2-(2-fluorophenyl)ethyl]amine