4-NITROBENZENESULFONYL FLUORIDE

The CAS registry number of Benzenesulfonylfluoride, 4-nitro- is 349-96-2. It belongs to the product categories of Protection & Derivatization Reagents (for Synthesis); Synthetic Organic Chemistry. This chemical is also named as p-Nitrobenzenesulfonyl fluoride. In addition, its molecular formula is C₆H₄FNO₄S and molecular weight is 205.16. Its systematic name is called 4-nitrobenzenesulfonyl fluoride.

Physical properties about Benzenesulfonylfluoride, 4-nitro- are: (1)ACD/LogP: 2.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.48; (4)ACD/LogD (pH 7.4): 2.48; (5)ACD/BCF (pH 5.5): 45.16; (6)ACD/BCF (pH 7.4): 45.16; (7)ACD/KOC (pH 5.5): 532.23; (8)ACD/KOC (pH 7.4): 532.23; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.544; (13)Molar Refractivity: 41.71 cm³; (14)Molar Volume: 131.9 cm³; (15)Surface Tension: 49.1 dyne/cm; (16)Density: 1.554 g/cm³; (17)Flash Point: 138.3 °C; (18)Enthalpy of Vaporization: 52.38 kJ/mol; (19)Boiling Point: 305.1 °C at 760 mmHg; (20)Vapour Pressure: 0.00151 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may destroy living tissue on contact and may cause burns. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(F)(=O)c1ccc([N+]([O-])=O)cc1
(2)InChI: InChI=1/C6H4FNO4S/c7-13(11,12)6-3-1-5(2-4-6)8(9)10/h1-4H
(3)InChIKey: HRLAPUHJWRZEIC-UHFFFAOYAV