4-Nitro-2-(trifluoromethyl)phenyl isocyanate

Base Information

• Chemical Name: 4-Nitro-2-(trifluoromethyl)phenyl isocyanate
• CAS No.: 16588-73-1
• Molecular Formula: C₈H₃F₃N₂O₃
• Molecular Weight: 232.119
• Hs Code.: 2929109000
• European Community (EC) Number: 621-944-5
• DSSTox Substance ID: DTXSID50408158
• Mol file: 16588-73-1.mol

Synonyms:4-Nitro-2-(trifluoromethyl)phenyl isocyanate;1-isocyanato-4-nitro-2-(trifluoromethyl)benzene;16588-73-1;starbld0001033;SCHEMBL2976028;DTXSID50408158;4-Nitro-2-(trifluoromethyl)phenyl isocy;J-010236

Chemical Property of 4-Nitro-2-(trifluoromethyl)phenyl isocyanate

Chemical Property:

• Vapor Pressure: 0.00445mmHg at 25°C
• Refractive Index: n20/D 1.5370(lit.)
• Boiling Point: 255-256 °C(lit.)
• Flash Point: 111 °F
• PSA: 75.25000
• Density: 1.509 g/mL at 25 °C(lit.)
• LogP: 3.10410
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 232.00957645
• Heavy Atom Count: 16
• Complexity: 320

Purity/Quality:

98% ^*data from raw suppliers

SG000673:1-Isocyanato-4-nitro-2-trifluoromethyl-benzene 98 ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 10-20/21/22-36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Nitro-2-(trifluoromethyl)phenyl isocyanate

There total 1 articles about 4-Nitro-2-(trifluoromethyl)phenyl 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:

→ 1-isocyanato-4-nitro-2-(trifluoromethyl)benzene (16588-73-1)

Guidance literature:

4-Nitro-2-trifluormethyl-anilin (A(VII)), Phosgen, Glyme, 80-83grad;

Reference yield:

4-(2-AMINOETHYL)MORPHOLINE (2038-03-1) + 1-isocyanato-4-nitro-2-(trifluoromethyl)benzene (16588-73-1) → 1-(2-morpholinoethyl)-3-(4-nitro-2-(trifluoromethyl)phenyl)urea (882679-01-8)

Guidance literature:

In benzene;

Downstream raw materials:

1-(2-morpholinoethyl)-3-(4-nitro-2-(trifluoromethyl)phenyl)urea