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Benzalkonium  Structure

Benzalkonium

Chemical Properties

Boiling point >100°C/760mmHg
Density  0.98
storage temp.  Store below +30°C.
solubility  Very soluble in water and in ethanol (96 per cent). An aqueous solution froths copiously when shaken.
form  Viscous Solution
Specific Gravity 0.98
color  Clear or white to yellow, may contain yellow-white fragments
Stability Stable. Incompatible with strong oxidizing agents, moisture. Hygroscopic.
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
SMILES C1C=C(C[N+](C)(C)C)C=CC=1.[Cl-]
LogP 1.692 (est)
CAS DataBase Reference 8001-54-5(CAS DataBase Reference)
FDA UNII 7N6JUD5X6Y
ATC code D08AJ01,D09AA11,R02AA16
EPA Substance Registry System Benzalkonium chloride (8001-54-5)

Safety

Symbol(GHS) GHS hazard pictogramsGHS hazard pictograms
Signal wordDanger
Hazard statements H302-H318-H314-H332-H312
Precautionary statements P280-P305+P351+P338-P310-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P280-P302+P352-P312-P322-P363-P501-P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312
Hazard Codes  C,N
Risk Statements  21/22-34-50
Safety Statements  36/37/39-45-61
RIDADR  UN 3261 8/PG 3
WGK Germany  3
RTECS  BO3151000
3-9
HS Code  34021200
Hazardous Substances Data 8001-54-5(Hazardous Substances Data)
Toxicity LD50 orally in rats: 400 mg/kg (Cummins, Kimura)

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