2,4-Dibromo-6-fluorophenyl isocyanate

Base Information

• Chemical Name: 2,4-Dibromo-6-fluorophenyl isocyanate
• CAS No.: 302912-27-2
• Molecular Formula: C7H2 Br2 F N O
• Molecular Weight: 294.9032832
• Hs Code.: 2929109000
• European Community (EC) Number: 623-983-3
• DSSTox Substance ID: DTXSID20401772
• Mol file: 302912-27-2.mol

Synonyms:2,4-Dibromo-6-fluorophenyl isocyanate;302912-27-2;1,5-dibromo-3-fluoro-2-isocyanatobenzene;Benzene, 1,5-dibromo-3-fluoro-2-isocyanato-;SCHEMBL1457283;DTXSID20401772;2 4-Dibromo-6-fluorophenyl isocyanate;2,4-Dibromo-6-fluorophenyl isocyanate, 98%;J-017877;InChI=1/C7H2Br2FNO/c8-4-1-5(9)7(11-3-12)6(10)2-4/h1-2

Chemical Property of 2,4-Dibromo-6-fluorophenyl isocyanate

Chemical Property:

• Vapor Pressure: 0.00197mmHg at 25°C
• Melting Point: 43-47 °C(lit.)
• Refractive Index: 1.614
• Boiling Point: 291.3°C at 760 mmHg
• Flash Point: >230 °F
• PSA: 29.43000
• Density: 2.01g/cm³
• LogP: 3.31800
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 294.84667
• Heavy Atom Count: 12
• Complexity: 208

Purity/Quality:

98%min ^*data from raw suppliers

2,4-DIBROMO-6-FLUOROPHENYL ISOCYANATE 95.00% ^*data from reagent suppliers

Safty Information:

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

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)Br