ETHYL 3-(CHLOROSULFONYL)ISONICOTINATE

The Ethyl 3-(chlorosulfonyl)isonicotinate, with the CAS registry number 306936-12-9, is also known as Ethyl 3-(chlorosulphonyl)isonicotinate 95%. It belongs to the product category of Sulfonylhalide. This chemical's molecular formula is C₈H₈ClNO₄S and molecular weight is 249.67. Its IUPAC name is called ethyl 3-chlorosulfonylpyridine-4-carboxylate.

Physical properties of Ethyl 3-(chlorosulfonyl)isonicotinate: (1)ACD/LogP: 0.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.835; (4)ACD/LogD (pH 7.4): 0.835; (5)ACD/BCF (pH 5.5): 2.537; (6)ACD/BCF (pH 7.4): 2.537; (7)ACD/KOC (pH 5.5): 67.77; (8)ACD/KOC (pH 7.4): 67.77; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.533; (13)Molar Refractivity: 53.943 cm³; (14)Molar Volume: 173.712 cm³; (15)Surface Tension: 49.89 dyne/cm; (16)Density: 1.437 g/cm³; (17)Flash Point: 181.635 °C; (18)Enthalpy of Vaporization: 62.44 kJ/mol; (19)Boiling Point: 376.721 °C at 760 mmHg; (20)Vapour Pressure: 0 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. It 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.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCOC(=O)C1=C(C=NC=C1)S(=O)(=O)Cl
(2)InChI: InChI=1S/C8H8ClNO4S/c1-2-14-8(11)6-3-4-10-5-7(6)15(9,12)13/h3-5H,2H2,1H3
(3)InChIKey: USJWOJZNWZSBGK-UHFFFAOYSA-N