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4248-77-5

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Basic Information
CAS No.: 4248-77-5
Name: Bis(methanesulfonic acid)nonane-1,9-diyl ester
Article Data: 3
Molecular Structure:
Molecular Structure of 4248-77-5 (Bis(methanesulfonic acid)nonane-1,9-diyl ester)
Formula: C11H24O6S2
Molecular Weight: 316.44
Synonyms: Nonasulphan;1,9-Nonandiol-dimethansulfonat;SK 7505;Nonasulfan;Methanesulfonic acid,nonamethylene ester;1,9-Nonanediol,dimethanesulfonate;CB 2067;1,9-Dimethanesulfonyloxynonane;Nonane dimethanesulphonate;Nonane-1,9-dimethanesulfonate;
Density: 1.194g/cm3
Boiling Point: 485.7°C at 760 mmHg
Flash Point: 247.6°C
Hazard Symbols: A reproductive hazard.
Safety: Experimental reproductive effects. Mutation data reported. When heated to decomposition it emits toxic vapors of SOx.
PSA: 103.50000
LogP: 3.83110
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Chemistry

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

Toxicity Data With Reference

1.    

dnd-rat-oth 250 µmol/L

     BCPCA6    Biochemical Pharmacology. 32 (1983),2297.

Safety Profile

Experimental reproductive effects. Mutation data reported. When heated to decomposition it emits toxic vapors of SOx.

Specification

 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 .