4-CHLOROPHENYLSULFONYLACETONITRILE

This chemical is called Acetonitrile, 2-[(4-chlorophenyl)sulfonyl]-, and its systematic name is [(4-chlorophenyl)sulfonyl]acetonitrile. With the molecular formula of C₈H₆ClNO₂S, its product categories are Sulfur Compounds (for Synthesis); Synthetic Organic Chemistry. The CAS registry number of this chemical is 1851-09-8. In addition, this chemical should be sealed in the cool and dry place, away from oxides.

Other characteristics of the Acetonitrile, 2-[(4-chlorophenyl)sulfonyl]- can be summarised as followings: (1)ACD/LogP: 0.86; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 66.31 Å²; (7)Index of Refraction: 1.561; (8)Molar Refractivity: 49.59 cm³; (9)Molar Volume: 153 cm³; (10)Polarizability: 19.66×10^-24cm³; (11)Surface Tension: 51.4 dyne/cm; (12)Density: 1.409 g/cm³; (13)Flash Point: 208.6 °C; (14)Enthalpy of Vaporization: 67.52 kJ/mol; (15)Boiling Point: 421.2 °C at 760 mmHg; (16)Vapour Pressure: 2.64E-07 mmHg at 25°C.

Uses of this chemical: The Acetonitrile, 2-[(4-chlorophenyl)sulfonyl]- could react with trimethoxymethyl-benzene, and obtain the 2-(4-chloro-benzenesulfonyl)-3-methoxy-3-phenyl-acrylonitrile. This reaction needs the reagent of Ac₂O. The yield is 50 %. In addition, this reaction should be taken for 7 hours at the temperature of 140 °C.

When you are using this chemical, please be cautious about it as the following: This chemical is harmful by inhalation, in contacting with skin and if swallowed. You should wear suitable protective clothing if you use it. In case of contacting 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(Cl)cc1)CC#N
2.InChI: InChI=1/C8H6ClNO2S/c9-7-1-3-8(4-2-7)13(11,12)6-5-10/h1-4H,6H2
3.InChIKey: HAQGVGPNKGGSMK-UHFFFAOYAX