1-Fluoro-2-isocyanato-3-(trifluoromethyl)benzene

Base Information

• Chemical Name: 1-Fluoro-2-isocyanato-3-(trifluoromethyl)benzene
• CAS No.: 190774-53-9
• Molecular Formula: C8H3 F4 N O
• Molecular Weight: 205.11
• Hs Code.: 2929109000
• European Community (EC) Number: 623-187-6
• DSSTox Substance ID: DTXSID30369879
• Mol file: 190774-53-9.mol

Synonyms:190774-53-9;1-fluoro-2-isocyanato-3-(trifluoromethyl)benzene;2-Fluoro-6-(trifluoromethyl)phenylisocyanate;2-Fluoro-6-(trifluoromethyl)phenyl isocyanate;Benzene, 1-fluoro-2-isocyanato-3-(trifluoromethyl)-;SCHEMBL158739;DTXSID30369879;MFCD00673070;CS-0312285;FT-0643797;EN300-247418;1-isocyanato-2-fluoro-6-(trifluoromethyl)benzene;A813434;2-Fluoro-6-(trifluoromethyl)phenyl isocyanate, 97%

Chemical Property of 1-Fluoro-2-isocyanato-3-(trifluoromethyl)benzene

Chemical Property:

• Vapor Pressure: 0.647mmHg at 25°C
• Refractive Index: n20/D 1.461(lit.)
• Boiling Point: 186.9°Cat760mmHg
• Flash Point: 71.1°C
• PSA: 29.43000
• Density: 1.35g/cm³
• LogP: 2.81180
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 205.01507637
• Heavy Atom Count: 14
• Complexity: 246

Purity/Quality:

99.3% ^*data from raw suppliers

2-Fluoro-6-(trifluoromethyl)phenylIsocyanate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1)F)N=C=O)C(F)(F)F
• Uses: 2-Fluoro-6-(trifluoromethyl)phenyl Isocyanate is involved in the design and synthesis of Rho kinase inhibitors.