4-METHOXYMETANILYL FLUORIDE

The CAS registry number of Benzenesulfonylfluoride, 3-amino-4-methoxy- is 498-74-8. This chemical is also named as 4-Methoxymetanilyl fluoride. Its EINECS registry number of is 207-870-2. In addition, its molecular formula is C₇H₈FNO₃S and molecular weight is 205.21. Its systematic name and IUPAC name are the same which is called 3-amino-4-methoxybenzenesulfonyl fluoride.

Physical properties about this chemical are: (1)ACD/LogP: 1.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.33; (4)ACD/LogD (pH 7.4): 1.33; (5)ACD/BCF (pH 5.5): 6.01; (6)ACD/BCF (pH 7.4): 6.01; (7)ACD/KOC (pH 5.5): 125.58; (8)ACD/KOC (pH 7.4): 125.62; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.536; (13)Molar Refractivity: 45.66 cm³; (14)Molar Volume: 146.4 cm³; (15)Surface Tension: 44.8 dyne/cm; (16) Density: 1.401 g/cm³; (17)Flash Point: 150 °C; (18)Enthalpy of Vaporization: 56.64 kJ/mol; (19)Boiling Point: 324.4 °C at 760 mmHg; (20)Vapour Pressure: 0.000247 mmHg at 25°C.

Uses of Benzenesulfonylfluoride, 3-amino-4-methoxy-: it can be used to produce 2-amino-4-methoxy-benzenesulfonic acid 3,4,5-trimethoxy-phenyl ester. It will need reagent Et₃N and solvent CH₂Cl₂. The yield is about 53 %.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. You should avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: FS(=O)(=O)c1ccc(OC)c(N)c1
(2)InChI: InChI=1/C7H8FNO3S/c1-12-7-3-2-5(4-6(7)9)13(8,10)11/h2-4H,9H2,1H3
(3)InChIKey: SESLQGPHIQXYGF-UHFFFAOYAM