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Name |
Methanesulfonamide,N-(2-cyanophenyl)- |
EINECS | N/A |
CAS No. | 50790-29-9 | Density | 1.36 g/cm3 |
PSA | 78.34000 | LogP | 2.08358 |
Solubility | N/A | Melting Point |
166 °C(Solv: water (7732-18-5); methanol (67-56-1)) |
Formula | C8H8N2O2S | Boiling Point | 366.1 °C at 760 mmHg |
Molecular Weight | 196.23 | Flash Point | 175.2 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | 22 | |
Molecular Structure | Hazard Symbols | Xn | |
Synonyms |
2-(Methanesulfonylamino)benzonitrile; |
Article Data | 7 |
The Methanesulfonamide,N-(2-cyanophenyl)-, with the CAS registry number of 50790-29-9, is also known as 2-(Methanesulfonylamino)benzonitrile. It belongs to the product categories of Boron, Nitrile, Thio, TM-Cpds. Its molecular formula is C8H8N2O2S and molecular weight is 196.226320. What's more, its IUPAC name is N-(2-Cyanophenyl)methanesulfonamide.
Physical properties about the Methanesulfonamide,N-(2-cyanophenyl)- are: (1)ACD/LogP: 0.73; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 69.55 Å2; (7)Index of Refraction: 1.587; (8)Molar Refractivity: 48.41 cm3; (9)Molar Volume: 144 cm3; (10)Surface Tension: 59 dyne/cm; (11)Density: 1.36 g/cm3; (12)Flash Point: 175.2 °C; (13)Enthalpy of Vaporization: 61.25 kJ/mol; (14)Boiling Point: 366.1 °C at 760 mmHg; (15)Vapour Pressure: 1.5E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=S(=O)(Nc1ccccc1C#N)C
(2) InChI: InChI=1/C8H8N2O2S/c1-13(11,12)10-8-5-3-2-4-7(8)6-9/h2-5,10H,1H3
(3) InChIKey: RKJYYYHFUOVDAD-UHFFFAOYAC