COUMARIN-6-SULFONYL CHLORIDE

The Coumarin-6-sulfonyl chloride is an organic compound with the formula C₉H₅ClO₄S. The IUPAC name of this chemical is 2-oxochromene-6-sulfonyl chloride. With the CAS registry number 10543-42-7, it is also named as 2H-1-Benzopyran-6-sulfonyl chloride, 2-oxo-.

Physical properties about Coumarin-6-sulfonyl chloride are: (1)ACD/LogP: 1.16; (2)ACD/LogD (pH 5.5): 1.16; (3)ACD/LogD (pH 7.4): 1.16; (4)ACD/BCF (pH 5.5): 4.48; (5)ACD/BCF (pH 7.4): 4.48; (6)ACD/KOC (pH 5.5): 101.73; (7)ACD/KOC (pH 7.4): 101.73; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 68.82 Å²; (11)Index of Refraction: 1.619; (12)Molar Refractivity: 54 cm³; (13)Molar Volume: 153.7 cm³; (14)Polarizability: 21.41×10^-24cm³; (15)Surface Tension: 56.9 dyne/cm; (16)Density: 1.591 g/cm³; (17)Flash Point: 214.8 °C; (18)Enthalpy of Vaporization: 68.72 kJ/mol; (19)Boiling Point: 431.6 °C at 760 mmHg; (20)Vapour Pressure: 1.19E-07 mmHg at 25°C.

Uses of Coumarin-6-sulfonyl chloride: it can be used to produce 2-oxo-2H-chromene-6-sulfonic acid o-tolyl ester at temperature of 60 - 70 °C. It will need reagent 5N NaOH with reaction time of 1 hour. The yield is about 35%.

When you are using this chemical, please be cautious about it as the following:
It can cause burns. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable 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: ClS(=O)(=O)c2ccc1OC(=O)/C=C\c1c2
(2)InChI: InChI=1/C9H5ClO4S/c10-15(12,13)7-2-3-8-6(5-7)1-4-9(11)14-8/h1-5H
(3)InChIKey: HQIPMBGUDSOVEA-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C9H5ClO4S/c10-15(12,13)7-2-3-8-6(5-7)1-4-9(11)14-8/h1-5H
(5)Std. InChIKey: HQIPMBGUDSOVEA-UHFFFAOYSA-N