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Home > Product > Ionic Liquids > Ammonium Ionic Liquids > BENZYLTRIMETHYLAMMONIUM CHLORIDE, 60% AQUEOUS SOLUTION

BENZYLTRIMETHYLAMMONIUM CHLORIDE, 60% AQUEOUS SOLUTION

Catalog Number
ACM56939
Product Name
BENZYLTRIMETHYLAMMONIUM CHLORIDE, 60% AQUEOUS SOLUTION
Structure
CAS Number
56-93-9
EC Number
200-300-3
RTECS Number
BO8400000
UNII
VNK45Y7BA1
IUPAC Name
benzyl(trimethyl)azanium;chloride;
Synonyms
CAS-56-93-9; F8880-1007; ACMC-209lv0; Tmbac; BCP24461; EC 200-300-3; ST51046799; benzyltrimethyl-ammonium chloride; AN-23571; Tox21_303260;
Molecular Formula
C10H16ClN;
Molecular Weight
185.695g/mol
Rotatable Bond Count
2
Exact Mass
185.097g/mol
Monoisotopic Mass
185.097g/mol
Topological Polar Surface Area
0A^2
Heavy Atom Count
12
Complexity
107
Covalently-Bonded Unit
2
Physical Description
BENZYLTRIMETHYLAMMONIUM CHLORIDE is a light yellow liquid with a mild almond odor. May float or sink in water. (USCG, 1999);Liquid;
Color/Form
CRYSTALLIZED FROM ACETONE;Colorless crystals;Light yellow, liquid (@ 15 deg C and 1 atm);
Odor
Mild almond odor;
Melting Point
469 ° F (NTP, 1992);243 DEG C;
Solubility
greater than or equal to 100 mg/mL at 65.3° F (NTP, 1992);VERY SOL IN WATER, SOL IN HOT ACETONE;Readily sol in ethanol, butanol, and water; slightly sol in butyl phthalate and tributyl phosphate;>27.9 [ug/mL];
Density
1.07 at 68 ° F (USCG, 1999);1.07 @ 20 deg C/20 deg C;
SMILES
C[N+](C)(C)CC1=CC=CC=C1.[Cl-];
InChI
InChI=1S/C10H16N.ClH/c1-11(2,3)9-10-7-5-4-6-8-10;/h4-8H,9H2,1-3H3;1H/q+1;/p-1;
InChIKey
KXHPPCXNWTUNSB-UHFFFAOYSA-M;
H-Bond Acceptor
1
Octanol/Water Partition Coefficient
-2.17 (LogP);log Kow = -2.17;
Stability
STABLE UP TO 135 DEG C, ABOVE WHICH BENZYL CHLORIDE & TRIMETHYLAMINE ARE FORMED;
Decomposition
When heated to decomposition it emits very toxic fumes of /hydrogen chloride and nitrogen oxides/.;
Other Experimental Properties
Properties of 60% soln; wt/gal /bulk density/: 8.90 lb; FP: less than -50 deg C;Stable up to 135 C, above which benzyl chloride and trimethylamine are formed.;
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