2-Bromo-4,6-difluorophenyl isocyanate

Base Information

• Chemical Name: 2-Bromo-4,6-difluorophenyl isocyanate
• CAS No.: 190774-48-2
• Molecular Formula: C₇H₂BrF₂NO
• Molecular Weight: 234
• Hs Code.: 2929109000
• European Community (EC) Number: 623-679-0
• DSSTox Substance ID: DTXSID60369862
• Nikkaji Number: J3.021.519B
• Mol file: 190774-48-2.mol

Synonyms:2-Bromo-4,6-difluorophenyl isocyanate;190774-48-2;1-bromo-3,5-difluoro-2-isocyanatobenzene;2-bromo-4,6-difluorophenylisocyanate;1-bromo-3,5-difluoro-2-isocyanato-benzene;SCHEMBL1020714;DTXSID60369862;AKOS009157992;2-Bromo-4,6-difluorophenyl isocyanate, 98%;A813432;J-012315

Chemical Property of 2-Bromo-4,6-difluorophenyl isocyanate

Chemical Property:

• Appearance/Colour: clear colorless liquid
• Vapor Pressure: 0.052mmHg at 25°C
• Refractive Index: n20/D 1.542(lit.)
• Boiling Point: 234.7 °C at 760 mmHg
• Flash Point: 95.8 °C
• PSA: 29.43000
• Density: 1.7 g/cm³
• LogP: 2.69460
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 232.92878
• Heavy Atom Count: 12
• Complexity: 208

Purity/Quality:

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

2-Bromo-4,6-difluorophenyl isocyanate 98% ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1F)N=C=O)Br)F