1-Hexadecylpyridinium bromide
- Product Name1-Hexadecylpyridinium bromide
- CAS140-72-7
- CBNumberCB0322113
- MFC21H38BrN
- MW384.44
- EINECS205-428-3
- MDL NumberMFCD00011988
- MOL File140-72-7.mol
- MSDS FileSDS
Chemical Properties
| 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) |
| FDA UNII | O77BKZ14DE |
| EPA Substance Registry System | Cetylpyridinium bromide (140-72-7) |
| UNSPSC Code | 12352005 |
| NACRES | NA.22 |
Safety
| Symbol(GHS) |
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| Signal word | Danger | |||||||||
| Hazard statements | H302-H315-H319-H330-H335-H413 | |||||||||
| Precautionary statements | P260-P273-P301+P312-P302+P352-P304+P340+P310-P305+P351+P338 | |||||||||
| 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 | |||||||||
| TSCA | TSCA listed | |||||||||
| HazardClass | 6.1(b) | |||||||||
| PackingGroup | III | |||||||||
| HS Code | 29333999 | |||||||||
| Storage Class | 6.1A - Combustible acute toxic Cat. 1 and 2 very toxic hazardous materials | |||||||||
| Hazard Classifications | Acute Tox. 2 Inhalation Acute Tox. 4 Oral Aquatic Acute 1 Eye Dam. 1 Skin Irrit. 2 STOT SE 3 | |||||||||
| Hazardous Substances Data | 140-72-7(Hazardous Substances Data) | |||||||||
| Toxicity | mouse,LD50,unreported,126mg/kg (126mg/kg),Pharmazie. Vol. 40, Pg. 273, 1985. | |||||||||
| NFPA 704: |
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