1-[2-Fluoro-4-(methylsulfonyl)phenyl]-1,4-diazepane
[CAS# 849924-88-5]

Identification

• Name: 1-[2-Fluoro-4-(methylsulfonyl)phenyl]-1,4-diazepane
• Synonyms: 1-(2-fluoro-4-(methylsulfonyl)phenyl)-1,4-diazepane; 1-[2-Fluoro-4-(methylsulfonyl)phenyl]-1,4-; 1-[2-Fluoro-4-(methylsulfonyl)phenyl]homopiperazine
• Molecular Formula: C₁₂H₁₇FN₂O₂S
• Molecular Weight: 272.34
• CAS Registry Number: 849924-88-5
• SMILES: O=S(=O)(c1ccc(c(F)c1)N2CCCNCC2)C
• InChI: 1S/C12H17FN2O2S/c1-18(16,17)10-3-4-12(11(13)9-10)15-7-2-5-14-6-8-15/h3-4,9,14H,2,5-8H2,1H3
• InChIKey: APBOURYCDZUNHD-UHFFFAOYSA-N

Properties

• Density: 1.23g/cm³ (Cal.)
• Boiling point: 464.358°C at 760 mmHg (Cal.)
• Flash point: 234.635°C (Cal.)
• Refractive index: 1.535 (Cal.)

Safety Data

• Safety Description: IRRITANT