2-Fluoro-3-(trifluoromethyl)phenyl isocyanate

Base Information

• Chemical Name: 2-Fluoro-3-(trifluoromethyl)phenyl isocyanate
• CAS No.: 190774-52-8
• Molecular Formula: C₈H₃F₄NO
• Molecular Weight: 205.112
• European Community (EC) Number: 620-885-2
• DSSTox Substance ID: DTXSID10369877
• Mol file: 190774-52-8.mol

Synonyms:2-Fluoro-3-(trifluoromethyl)phenyl isocyanate;190774-52-8;2-fluoro-1-isocyanato-3-(trifluoromethyl)benzene;Benzene, 2-fluoro-1-isocyanato-3-(trifluoromethyl)-;2-Fluoro-3-(trifluoromethyl)phenylisocyanate;SCHEMBL59215;DTXSID10369877;GEO-01404;MFCD00673068;AKOS005254499;2-fluoro-3-trifluoromethylphenyl isocyanate;FT-0612316;EN300-113604;A813433;2-fluoranyl-1-isocyanato-3-(trifluoromethyl)benzene;2-Fluoro-3-(trifluoromethyl)phenyl isocyanate, 97%;W-200192

Chemical Property of 2-Fluoro-3-(trifluoromethyl)phenyl isocyanate

Chemical Property:

• Vapor Pressure: 0.936mmHg at 25°C
• Refractive Index: n20/D 1.459(lit.)
• Boiling Point: 179.5°Cat760mmHg
• Flash Point: 68.1°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:

98%,99%, ^*data from raw suppliers

2-Fluoro-3-(trifluoromethyl)phenyl isocyanate 97% ^*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)N=C=O)F)C(F)(F)F
• Uses: 2-Fluoro-3-(trifluoromethyl)phenyl Isocyanate is used in the synthesis of s.mall Molecule RIP1 Kinase Inhibitors for the Treatment of Pathologies Associated with Necroptosis.