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Hexadecylpyridinium Chloride Monohydrate Structure

Hexadecylpyridinium Chloride Monohydrate

Chemical Properties

Melting point 81-84 °C
storage temp.  Store below +30°C.
solubility  H2O: soluble0.5M, clear, colorless to faintly yellow
form  Powder
color  White
PH 5.0-5.4 (10g/l, H2O, 20℃)
Water Solubility  Soluble in water, alcohol, chloroform
Merck  14,2032
BRN  3578606
Stability Stable. Combustible. Incompatible with strong oxidizing agents, acids, acid anhydrides, acid chlorides.
InChI InChI=1S/C21H38N.ClH.H2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22;;/h15,17-18,20-21H,2-14,16,19H2,1H3;1H;1H2/q+1;;/p-1
InChIKey NFCRBQADEGXVDL-UHFFFAOYSA-M
SMILES C1=[N+](CCCCCCCCCCCCCCCC)C=CC=C1.[Cl-].[H]O[H]
LogP 1.699 (est)
CAS DataBase Reference 6004-24-6(CAS DataBase Reference)

Safety Information

Hazard Codes  T+,N,Xi
Risk Statements  25-26-38-50/53-36/37/38
Safety Statements  28-36/37-45-7/9-61-26-36
RIDADR  UN 2811 6.1/PG 1
WGK Germany  3
RTECS  UU5075000
TSCA  Yes
HazardClass  6.1
PackingGroup  I
HS Code  29333999
Toxicity LD50 in rats (mg/kg): 250 s.c.; 6 i.p.; 30 i.v.; 200 orally (Nelson, Lyster)

MSDS

Usage And Synthesis

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