Product Name

  • Name

    2-(4-Fluorophenyl)-1,3-dithiane

  • EINECS
  • CAS No. 57009-75-3
  • Article Data20
  • CAS DataBase
  • Density 1.233 g/cm3
  • Solubility
  • Melting Point
  • Formula C10H11FS2
  • Boiling Point 324.7 °C at 760 mmHg
  • Molecular Weight 214.328
  • Flash Point 150.2 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 57009-75-3 (2-(4-Fluorophenyl)-1,3-dithiane)
  • Hazard Symbols
  • Synonyms 2-(4-fluorophenyl)-1,3-dithiane
  • PSA 50.60000
  • LogP 3.69440

2-(4-Fluorophenyl)-1,3-dithiane Specification

This chemical is called 2-(4-Fluorophenyl)-1,3-dithiane. With the molecular formula of C10H11FS2, its molecular weight is 214.3227. The CAS registry number of this chemical is 57009-75-3.

Other characteristics of the 2-(4-Fluorophenyl)-1,3-dithiane can be summarised as followings: (1)ACD/LogP: 3.75; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 0; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 50.6 Å2; (7)Index of Refraction: 1.596; (8)Molar Refractivity: 59.2 cm3; (9)Molar Volume: 173.8 cm3; (10)Polarizability: 23.47×10-24cm3; (11)Surface Tension: 45.6 dyne/cm; (12)Density: 1.233 g/cm3; (13)Flash Point: 150.2 °C; (14)Enthalpy of Vaporization: 54.42 kJ/mol; (15)Boiling Point: 324.7 °C at 760 mmHg; (16)Vapour Pressure: 0.000457 mmHg at 25°C.

Production method of this chemical: The 2-(4-Fluorophenyl)-1,3-dithiane could be obtained by the reactants of 4-fluoro-benzaldehyde and propane-1,3-dithiol. This reaction needs the catalyst of Sc(OTf)3, and the solvent of CH2Cl2. The yield is 90 %. In addition, this reaction should be taken for 30 minutes at the temperature of 20 °C.

The 2-(4-Fluorophenyl)-1,3-dithiane could be obtained by the reactants of 4-fluoro-benzaldehyde and propane-1,3-dithiol

You can still convert the following datas into molecular structure: 
1.SMILES: Fc1ccc(cc1)C2SCCCS2
2.InChI: InChI=1/C10H11FS2/c11-9-4-2-8(3-5-9)10-12-6-1-7-13-10/h2-5,10H,1,6-7H2
3.InChIKey: IDQGMDVTWFRXOR-UHFFFAOYAR

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