2-Chloro-6-(trifluoromethyl)phenyl isocyanate

Base Information

• Chemical Name: 2-Chloro-6-(trifluoromethyl)phenyl isocyanate
• CAS No.: 16583-76-9
• Molecular Formula: C8H3 Cl F3 N O
• Molecular Weight: 221.566
• Hs Code.: 2929109000
• European Community (EC) Number: 626-098-0
• DSSTox Substance ID: DTXSID00408724
• Mol file: 16583-76-9.mol

Synonyms:2-Chloro-6-(trifluoromethyl)phenyl isocyanate;16583-76-9;1-chloro-2-isocyanato-3-(trifluoromethyl)benzene;Benzene, chloroisocyanato(trifluoromethyl)-;SCHEMBL163538;DTXSID00408724;AKOS009158366;2-chloro-6-trifluoromethylphenyl isocyanate;EN300-146914;2-chloro-1-isocyanato-6-(trifluoromethyl)benzene;2-Chloro-6-(trifluoromethyl)phenyl isocy anate,97%;2-Chloro-6-(trifluoromethyl)phenyl isocyanate, 97%;J-010232

Chemical Property of 2-Chloro-6-(trifluoromethyl)phenyl isocyanate

Chemical Property:

• Vapor Pressure: 0.267mmHg at 25°C
• Refractive Index: n20/D 1.498(lit.)
• Boiling Point: 204.2°Cat760mmHg
• Flash Point: 77.3°C
• PSA: 29.43000
• Density: 1.4g/cm³
• LogP: 3.32610
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 220.9855259
• Heavy Atom Count: 14
• Complexity: 250

Purity/Quality:

97% ^*data from raw suppliers

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

Safty Information:

• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38-42/43
• Safety Statements: 23-26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1)Cl)N=C=O)C(F)(F)F
• Uses: 2-Chloro-6-(trifluoromethyl)phenyl Isocyanate is a compound used in the preparation of novel dihydropyrimidinones.