2-Propenoic acid,2-[ethyl[(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)sulfonyl]amino]ethylester (423-82-5)

The 2-(N-Ethylperfluorooctanesulfonamido)ethyl acrylate with the CAS number 423-82-5 is also called 2-Propenoic acid,2-[ethyl[(heptadecafluorooctyl)sulfonyl]amino]ethyl ester (9CI). The IUPAC name is 2-[ethyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl)amino]ethyl prop-2-enoate. Its molecular formula is C₁₅H₁₂F₁₇NO₄S. The EINECS registry number is 207-031-0. The product's category is monomer.

The properties of the chemical are: (1)ACD/LogP: 10.17; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 10.17; (4)ACD/LogD (pH 7.4): 10.17; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 8084814; (8)ACD/KOC (pH 7.4): 8084814; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 14; (12)Polar Surface Area: 72.06 Å²; (13)Index of Refraction: 1.362; (14)Molar Refractivity: 87.91 cm³; (15)Molar Volume: 395.9 cm³; (16)Polarizability: 34.85×10^-24cm³; (17)Surface Tension: 23.7 dyne/cm; (18)Enthalpy of Vaporization: 60.97 kJ/mol; (19)Vapour Pressure: 1.78×10^-5 mmHg at 25°C.

While using this chemical, you should be very cautious. This chemical may cause sensitization by skin contact. It is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing, gloves and eye/face protection. Then in case of contact 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(OCCN(CC)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)\C=C
(2)InChI: InChI=1/C15H12F17NO4S/c1-3-7(34)37-6-5-33(4-2)38(35,36)15(31,32)13(26,27)11(22,23)9(18,19)8(16,17)10(20,21)12(24,25)14(28,29)30/h3H,1,4-6H2,2H3
(3)InChIKey: ZAZJGBCGMUKZEL-UHFFFAOYAP