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Name |
2-(4-Fluorophenyl)-1,3-dithiane |
EINECS | N/A |
CAS No. | 57009-75-3 | Density | 1.233 g/cm3 |
PSA | 50.60000 | LogP | 3.69440 |
Solubility | N/A | Melting Point |
N/A |
Formula | C10H11FS2 | Boiling Point | 324.7 °C at 760 mmHg |
Molecular Weight | 214.328 | Flash Point | 150.2 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-(4-fluorophenyl)-1,3-dithiane |
Article Data | 20 |
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.
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