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140-72-7

Name 1-Hexadecylpyridinium bromide
CAS 140-72-7
EINECS(EC#) 205-428-3
Molecular Formula C21H38BrN
MDL Number MFCD00011988
Molecular Weight 384.44
MOL File 140-72-7.mol

Chemical Properties

Appearance white to cream coloured powder
Melting point  63-69 °C
storage temp.  Inert atmosphere,Room Temperature
solubility  soluble in Chloroform,Methanol,Acetone,Ethanol
form  powder to crystal
color  White to Almost white
Water Solubility  5 g/L (20 ºC)
BRN  3778948
InChI InChI=1S/C21H38N.BrH/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/q+1;/p-1
InChIKey DVBJBNKEBPCGSY-UHFFFAOYSA-M
SMILES [N+]1(CCCCCCCCCCCCCCCC)C=CC=CC=1.[Br-]
LogP 1.699 (est)
CAS DataBase Reference 140-72-7(CAS DataBase Reference)
EPA Substance Registry System 140-72-7(EPA Substance)

Safety Data

Hazard Codes  T+,Xi,Xn
Risk Statements 
R22:Harmful if swallowed.
R26:Very Toxic by inhalation.
R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
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) .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S22:Do not breathe dust .
S36:Wear suitable protective clothing .
RIDADR  2811
WGK Germany  3
RTECS  UU4848000
HazardClass  6.1(b)
PackingGroup  III
HS Code  29333999
Hazardous Substances Data 140-72-7(Hazardous Substances Data)
Toxicity
mouse,LD50,unreported,126mg/kg (126mg/kg),Pharmazie. Vol. 40, Pg. 273, 1985.

Raw materials And Preparation Products

Hazard Information

Material Safety Data Sheet(MSDS)

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