1-fluoro-4-(4-fluorobenzenesulfonyl)benzene

• ChemBase ID: 9354
• Molecular Formular: C12H8F2O2S
• Molecular Mass: 254.2525264
• Monoisotopic Mass: 254.02130694
• SMILES: Fc1ccc(cc1)S(=O)(=O)c1ccc(cc1)F
• Canonical SMILES: Fc1ccc(cc1)S(=O)(=O)c1ccc(cc1)F
• InChI: InChI=1S/C12H8F2O2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H
• InChIKey: PLVUIVUKKJTSDM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-fluoro-4-(4-fluorobenzenesulfonyl)benzene
• IUPAC Traditional name: 1-fluoro-4-(4-fluorobenzenesulfonyl)benzene
• Synonyms: 4,4'-DIFLUORODIPHENYL SULFONE; Bis(4-fluorophenyl) sulfone; 1,1'-Sulphonylbis(4-fluorobenzene), Bis(4-fluorophenyl) sulphone; 4,4'-Difluorodiphenyl sulphone 98%; 4,4′-Difluorodiphenyl sulfone; 4-Fluorophenyl sulfone; Bis(4-fluorophenyl) sulfone; 4,4'-Sulfonylbis(fluorobenzene); 4,4'-Difluorodiphenyl sulfone; 4,4′-二氟二苯砜; 4-氟苯基砜; 双(4-氟苯基)砜

Database IDs

• CAS Number: 383-29-9
• EC Number: 206-847-4
• MDL Number: MFCD00000350
• Beilstein Number: 1970911
• PubChem SID: 160972661; 24894773
• PubChem CID: 67842

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.2134843
• LogD (pH = 7.4): 3.2134843
• Log P: 3.2134843
• Molar Refractivity: 60.023 cm^3
• Polarizability: 23.773647 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 97-101°C; 98-100 °C(lit.); 98-100°C; 98-99°C
• Flash Point: >110°C

Safety Information

• Storage Warning: IRRITANT; Irritant
• German water hazard class: 3
• TSCA Listed: true; 是
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 98%; 98+%; 99%
• Linear Formula: (FC6H4)2SO2

DETAILS

MP Biomedicals - 05220809

MP Biomedicals Rare Chemical collection

Sigma Aldrich - F15145

Packaging
10, 25 g in glass bottle

REFERENCES

• Cross-linking agent.