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6004-24-6

Name Cetylpyridinium chloride monohydrate
CAS 6004-24-6
EINECS(EC#) 204-593-9
Molecular Formula C21H40ClNO
MDL Number MFCD00149977
Molecular Weight 358
MOL File 6004-24-6.mol
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Chemical Properties

Appearance white to light beige powder
Melting point  81-84 °C
storage temp.  Store at RT.
solubility  H2O: soluble0.5M, clear, colorless to faintly yellow
form  Powder
color  White
PH 5.0-5.4 (10g/l, H2O, 20℃)
Stability: Stable. Combustible. Incompatible with strong oxidizing agents, acids, acid anhydrides, acid chlorides.
Water Solubility  Soluble in water, alcohol, chloroform
Merck  14,2032
BRN  3578606
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 Data

Hazard Codes  T+,N,Xi
Risk Statements 
R25:Toxic if swallowed.
R26:Very Toxic by inhalation.
R38:Irritating to the skin.
R50/53:Very Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S28:After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) .
S36/37:Wear suitable protective clothing and gloves .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S7/9:Keep container tightly closed and in a well-ventilated place .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
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)

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