4-(METHANESULFONYLAMINO)BENZONITRILE

The Methanesulfonamide,N-(4-cyanophenyl)- is an organic compound with the formula C₈H₈N₂O₂S. The IUPAC name of this chemical is N-(4-cyanophenyl)methanesulfonamide. With the CAS registry number 36268-67-4, it is also named as 4-(Methanesulfonylamino)benzonitrile. The product's categories are Boron; Nitrile; Thio & TM-Cpds. Besides, it is a beige fine crystalline powder.

Physical properties about Methanesulfonamide,N-(4-cyanophenyl)- are: (1)ACD/LogP: 0.88; (2)ACD/LogD (pH 5.5): 0.88; (3)ACD/LogD (pH 7.4): 0.85; (4)ACD/BCF (pH 5.5): 2.74; (5)ACD/BCF (pH 7.4): 2.57; (6)ACD/KOC (pH 5.5): 71.64; (7)ACD/KOC (pH 7.4): 67; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 69.55 Å²; (12)Index of Refraction: 1.587; (13)Molar Refractivity: 48.41 cm³; (14)Molar Volume: 144 cm³; (15)Polarizability: 19.19×10^-24cm³; (16)Surface Tension: 59 dyne/cm; (17)Density: 1.36 g/cm³; (18)Flash Point: 174.8 °C; (19)Enthalpy of Vaporization: 61.18 kJ/mol; (20)Boiling Point: 365.5 °C at 760 mmHg; (21)Vapour Pressure: 1.57E-05 mmHg at 25°C.

Preparation: this chemical can be prepared by methanesulfonyl chloride and 4-amino-benzonitrile. This reaction will need reagent pyridine. The reaction time is 2 hours at ambient temperature. The yield is about 70%.

Uses of Methanesulfonamide,N-(4-cyanophenyl)-: it can be used to produce 4-[(methylsulfonyl)amino]benzenecarboxamide oxime at temperature of 25 °C. It will need reagent NH₂OH*HCl, Na and solvent methanol with reaction time of 16 hours. The yield is about 65.5%.

When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(Nc1ccc(C#N)cc1)C
(2)InChI: InChI=1/C8H8N2O2S/c1-13(11,12)10-8-4-2-7(6-9)3-5-8/h2-5,10H,1H3
(3)InChIKey: BRDHOCVMWSXEHI-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C8H8N2O2S/c1-13(11,12)10-8-4-2-7(6-9)3-5-8/h2-5,10H,1H3
(5)Std. InChIKey: BRDHOCVMWSXEHI-UHFFFAOYSA-N