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64049-56-5

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Basic Information
CAS No.: 64049-56-5
Name: N,N,N-trimethyloctadecan-1-aminium 4-fluorobenzenesulfonate
Molecular Structure:
Molecular Structure of 64049-56-5 (N,N,N-trimethyloctadecan-1-aminium 4-fluorobenzenesulfonate)
Formula: C21H46N•C6H4FO3S
Molecular Weight: 487.84
Density: g/cm3
Boiling Point: °Cat760mmHg
Flash Point: °C
Safety: A poison by intravenous route. When heated to decomposition it emits toxic vapors of NOx, SOx, and F−.
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Chemistry

IUPAC Name: 4-Fluorobenzenesulfonate; trimethyl(octadecyl)azanium
Synonyms of Octadecyltrimethylammonium p-fluorobenzenesulfonate (CAS NO.64049-56-5): Ammonium, octadecyltrimethyl-, p-fluorobenzenesulfonate
InChI: InChI=1/C21H46N.C6H5FO3S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2,3)4;7-5-1-3-6(4-2-5)11(8,9)10/h5-21H2,1-4H3;1-4H,(H,8,9,10)/q+1;/p-1
CAS NO: 64049-56-5
Molecular Formula: C27H50FNO3S
Molecular Weight: 487.7542
Molecular Structure :
H bond acceptors: 1
H bond donors: 0
Freely Rotating Bonds: 17
Polar Surface Area: 0Å2

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intravenous 12500ug/kg (12.5mg/kg)   "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 5, Pg. 137, 1953.

Safety Profile

A poison by intravenous route. When Octadecyltrimethylammonium p-fluorobenzenesulfonate (CAS NO.64049-56-5) is heated to decomposition ,it emits toxic vapors of NOx, SOx, and F−.