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Molecule structure of Methanesulfonic acid, nonamethylene ester (6CI) (CAS NO.4248-77-5) :
IUPAC Name: 9-methylsulfonyloxynonyl methanesulfonate
Molecular Weight: 316.43466 g/mol
Molecular Formula: C11H24O6S2
Density: 1.194 g/cm3
Boiling Point: 485.7 °C at 760 mmHg
Flash Point: 247.6 °C
Index of Refraction: 1.471
Molar Refractivity: 74.09 cm3
Molar Volume: 264.8 cm3
Polarizability: 29.37×10-24 cm3
Surface Tension: 42.2 dyne/cm
Enthalpy of Vaporization: 72.27 kJ/mol
Vapour Pressure: 4.08E-09 mmHg at 25 °C
XLogP3: 1.8
H-Bond Acceptor: 6
Rotatable Bond Count: 12
Exact Mass: 316.10143
MonoIsotopic Mass: 316.10143
Topological Polar Surface Area: 86.7
Heavy Atom Count: 19
Complexity: 361
Canonical SMILES: CS(=O)(=O)OCCCCCCCCCOS(=O)(=O)C
InChI: InChI=1S/C11H24O6S2/c1-18(12,13)16-10-8-6-4-3-5-7-9-11-17-19(2,14)15/h3-11H2,1-2H3
InChIKey of Methanesulfonic acid, nonamethylene ester (6CI) (CAS NO.4248-77-5) : NIYYZZQGQRDTGO-UHFFFAOYSA-N
1. | dnd-rat-oth 250 µmol/L | BCPCA6 Biochemical Pharmacology. 32 (1983),2297. |
Experimental reproductive effects. Mutation data reported. When heated to decomposition it emits toxic vapors of SOx.
Methanesulfonic acid, nonamethylene ester (6CI) (CAS NO.4248-77-5) is also called 1,9-Di(methanesulfonoxy) nonane ; 1,9-Dimethanesulfonyloxynonane ; 1,9-Nonanediol dimethanesulfonate ; AI3-26397 ; BRN 1884323 ; CB 2067 ;
NSC 3052 ; Nonamethylene dimethanesulfonate ; Nonane dimethanesulphonate ; Nonane-1,9-dimethanesulfonate ; Nonasulfan ; Nonasulphan ; SK 7505 .