(4-FLUOROBENZENESULFONYL)ACETONITRILE

The CAS register number of Acetonitrile,2-[(4-fluorophenyl)sulfonyl]- is 32083-66-2. It also can be called as 2-[(4-fluorophenyl)sulfonyl]acetonitrile and the systematic name about this chemical is [(4-fluorophenyl)sulfonyl]acetonitrile. The molecular formula about this chemical is C₈H₆FNO₂S and the molecular weight is 199.2. It belongs to the Phenyls & Phenyl-Het.

Physical properties about Acetonitrile,2-[(4-fluorophenyl)sulfonyl]- are: (1)ACD/LogP: 0.62; (2)ACD/LogD (pH 5.5): 0.62; (3)ACD/LogD (pH 7.4): 0.62; (4)ACD/BCF (pH 5.5): 1.74; (5)ACD/BCF (pH 7.4): 1.74; (6)ACD/KOC (pH 5.5): 51.77; (7)ACD/KOC (pH 7.4): 51.77; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 66.31Ų; (11)Index of Refraction: 1.529; (12)Molar Refractivity: 44.88 cm³; (13)Molar Volume: 145.3 cm³; (14)Polarizability: 17.79x10^-24cm³; (15)Surface Tension: 46.8 dyne/cm; (16)Enthalpy of Vaporization: 64 kJ/mol; (17)Boiling Point: 390.5 °C at 760 mmHg; (18)Vapour Pressure: 2.64E-06 mmHg at 25°C.

Uses of Acetonitrile,2-[(4-fluorophenyl)sulfonyl]-: it can be used to produce 3-(4-fluoro-benzenesulfonyl)-thiophen-2-ylamine with [1,4]dithiane-2,5-diol at temperature of 20 °C. This reaction will need reagent 1,8-diazabicyclo[5.4.0]undec-7-ene and solvent ethanol with reaction time of 16 hours. The yield is about 58%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1ccc(F)cc1)CC#N
(2)InChI: InChI=1/C8H6FNO2S/c9-7-1-3-8(4-2-7)13(11,12)6-5-10/h1-4H,6H2
(3)InChIKey: WBXJZTLPEMITJL-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C8H6FNO2S/c9-7-1-3-8(4-2-7)13(11,12)6-5-10/h1-4H,6H2
(5)Std. InChIKey: WBXJZTLPEMITJL-UHFFFAOYSA-N