6-Fluoro-4H-1,3-benzodioxin-8-YL isocyanate

Base Information

• Chemical Name: 6-Fluoro-4H-1,3-benzodioxin-8-YL isocyanate
• CAS No.: 321309-30-2
• Molecular Formula: C9H6FNO3
• Molecular Weight: 195.15
• Hs Code.: 2932999099
• European Community (EC) Number: 692-188-1
• DSSTox Substance ID: DTXSID50381598
• Mol file: 321309-30-2.mol

Synonyms:321309-30-2;6-FLUORO-4H-1,3-BENZODIOXIN-8-YL ISOCYANATE;6-fluoro-8-isocyanato-4H-1,3-benzodioxine;6-Fluoro-8-isocyanato-4H-benzo[1,3]dioxine;6-FLUORO-4H-1,3-BENZODIOXIN-8-ylisoCYANATE;6-fluoro-8-isocyanato-2,4-dihydro-1,3-benzodioxine;6-fluoro-8-isocyanato-4H-benzo[d][1,3]dioxine;6-Fluoro-4H-1,3-benzodioxen-8-yl-isocyanate;SCHEMBL1019733;DTXSID50381598;MFCD02681891;AKOS006229188;FS-5376;FT-0602076;EN300-366142;A821148;J-518726;6-fluoro-4H-1,3-benzodioxin-8-yl isocyanate, AldrichCPR

Chemical Property of 6-Fluoro-4H-1,3-benzodioxin-8-YL isocyanate

Chemical Property:

• Vapor Pressure: 0.000137mmHg at 25°C
• Melting Point: 85 °C
• Refractive Index: 1.571
• Boiling Point: 333.4 °C at 760 mmHg
• Flash Point: 155.5 °C
• PSA: 47.89000
• Density: 1.41 g/cm³
• LogP: 1.65950
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 195.03317122
• Heavy Atom Count: 14
• Complexity: 254

Purity/Quality:

98%min ^*data from raw suppliers

6-Fluoro-4H-1,3-benzodioxin-8-ylIsocyanate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2=C(C(=CC(=C2)F)N=C=O)OCO1
• Uses: 6-Fluoro-4H-1,3-benzodioxin-8-yl Isocyanate is used to prepare 2-admantylureas as selective 11-β-hydroxysteroid dehydrogenase type 1 (11β-HSD1) inhibitors.