4-(METHYLSULFONYLAMINO)BENZYLAMINE HYDROCHLORIDE

The Ethanone,1-(3-fluorophenyl)-2-(methylsulfonyl)-, with the CAS registry number 82652-12-8, is also known as 1-(3-Fluorophenyl)-2-(methylsulfonyl)ethan-1-one. This chemical's molecular formula is C₉H₉FO₃S and molecular weight is 216.23. What's more, its systematic name is called 1-(3-Fluorophenyl)-2-(methylsulfonyl)ethanone.

Physical properties about Ethanone,1-(3-fluorophenyl)-2-(methylsulfonyl)- are: (1) ACD/LogP: 0.37; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 0.37; (4) ACD/LogD (pH 7.4): 0.37; (5) ACD/BCF (pH 5.5): 1.12; (6) ACD/BCF (pH 7.4): 1.12; (7) ACD/KOC (pH 5.5): 37.68; (8) ACD/KOC (pH 7.4): 37.68; (9) #H bond acceptors: 3; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 3; (12) Polar Surface Area: 59.59 Å²; (13) Index of Refraction: 1.522; (14) Molar Refractivity: 49.68 cm³; (15) Molar Volume: 162.7 cm³; (16) Surface Tension: 45.4 dyne/cm; (17) Density: 1.328 g/cm³; (18)Flash Point: 204.4 °C; (19) Enthalpy of Vaporization: 66.73 kJ/mol; (20) Boiling Point: 414.3 °C at 760 mmHg; (21) Vapour Pressure: 4.48E-07 mmHg at 25 °C; (22) Melting Point: 81-83 °C.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. In addition, it may destroy living tissue on contact and may cause inflammation to the skin or other mucous membranes. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1cc(F)ccc1)CS(=O)(=O)C
(2) InChI: InChI=1/C9H9FO3S/c1-14(12,13)6-9(11)7-3-2-4-8(10)5-7/h2-5H,6H2,1H3
(3) InChIKey: VSVWRPDWOFICOX-UHFFFAOYAG