Description
1-Hexadecylpyridinium bromide Chemical Properties
| Melting point | 63-69 °C |
| storage temp. | Inert atmosphere,Room Temperature |
| solubility | Chloroform,Methanol,Acetone,Ethanol[soluble in] |
| 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 | Cetylpyridinium bromide (140-72-7) |
Safety Information
| Hazard Codes | T+,Xi,Xn |
| Risk Statements | 22-26-36/37/38-20/21/22 |
| Safety Statements | 26-28-36/37-45-36/37/39-22-36 |
| 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 |
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