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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)
EPA Substance Registry System Benzalkonium chloride (8001-54-5)

Safety Information

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)

MSDS

Usage And Synthesis

Preparation Products And Raw materials

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