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Tetrabutylammonium methanesulphonate

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Name

Tetrabutylammonium methanesulphonate

EINECS 265-751-0
CAS No. 65411-49-6 Density N/A
PSA 65.58000 LogP 5.24580
Solubility N/A Melting Point 78-80 °C
Formula C17H39NO3S Boiling Point N/A
Molecular Weight 337.568 Flash Point N/A
Transport Information N/A Appearance N/A
Safety 22-24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 65411-49-6 (TETRABUTYLAMMONIUM METHANESULFONATE) Hazard Symbols N/A
Synonyms

methanesulfonate; tetrabutylazanium;

Article Data 2

Tetrabutylammonium methanesulphonate Specification

The Tetrabutylammonium methanesulphonate, with the CAS registry number 65411-49-6, is also known as N,N,N-Tributylbutan-1-aminium methanesulfonate. Its EINECS number is 265-751-0. This chemical's molecular formula is C17H39NO3S and molecular weight is 337.56. Its IUPAC name is called methanesulfonate; tetrabutylazanium. When you are using this chemical, please be cautious about it. You should not breathe its dust. Besides, you must avoid contacting it with skin and eyes. You can keep its container tightly closed and at temperature not exceeding 2-8 °C.

Physical properties of Tetrabutylammonium methanesulphonate: (1)ACD/LogP: -1.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.72; (4)ACD/LogD (pH 7.4): -1.72; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.78; (8)ACD/KOC (pH 7.4): 2.78; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 12.

Uses of Tetrabutylammonium methanesulphonate: it can be used to produce 2-methylsulfonyloxaethyl nitrate at temperature of 0 °C. This reaction will need reagent NO2BF4 and solvent CH2Cl2 with reaction time of 1 hour. The yield is about 89%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCC[N+](CCCC)(CCCC)CCCC.CS(=O)(=O)[O-]
(2)InChI: InChI=1S/C16H36N.CH4O3S/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-5(2,3)4/h5-16H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1
(3)InChIKey: XHYYGJAYKIYARQ-UHFFFAOYSA-M

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