1-Hexadecylpyridinium bromide CAS 140-72-7
Introduction：Basic information about 1-Hexadecylpyridinium bromide CAS 140-72-7, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
1-Hexadecylpyridinium bromide Basic information
| Product Name: | 1-Hexadecylpyridinium bromide |
| Synonyms: | CETYLPYRIDINIUM BROMIDE;hexadecylpyridine bromide;HEXADECYLPYRIDINIUM BROMIDE;1-HEXADECYLPYRIDINUM BROMIDE;1-HEXADECYLPYRIDINIUM BROMIDE;1-Hexadecylpyridinium;HexadecylpyridiniumBromideMono;N-HEXADECYLPYRIDINIUM BROMIDE |
| CAS: | 140-72-7 |
| MF: | C21H38BrN |
| MW: | 384.44 |
| EINECS: | 205-428-3 |
| Product Categories: | pharma material;Cationic Surfactants;Functional Materials;Heterocyclic Quarternary Ammonium Salts (Surfactants);Pyridinium Compounds;Surfactants;bc0001 |
| Mol File: | 140-72-7.mol |
1-Hexadecylpyridinium bromide 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) |
| 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 |
| 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. |
| Description | 1-Hexadecylpyridinium bromide is a cationic surfactant capable of bactericidal activity and has been used for ion exchange. As a bactericidal agent, it reduces the surface tension between pathogenic membranes and their environments. This interaction disrupts membrane integrity and osmoregulation, leading to cell lysis. It has also been shown to quickly and efficiently remove metal ions from solutions. The compound removes cations from the solution through a cation/surfactant complex, which precipitates from an aqueous phase into an organic phase and can subsequently be extracted. It is an effective ion exchange agent for extracting DNA and proteins. |
| Chemical Properties | white to cream coloured powder |
| Uses | Hexadecylpyridinium bromide (HDPB) is a biochemical assay reagent. |
| Definition | ChEBI: A pyridinium salt that has N-hexadecylpyridinium as the cation and bromide as the anion. |
| Synthesis | 110-86-1 112-82-3 140-72-7 General method: 1-bromohexadecane (0.01 mol) and pyridine (0.011 mol) were added sequentially to 25 mL of anhydrous acetonitrile and heated to reflux for 24 hours. Upon completion of the reaction, the solvent was removed by evaporation, the residue was co-evaporated with benzene to remove residual water, and finally the N-hexadecyl pyridine bromide salt was recrystallized from acetone. |
| References | [1] Molecules, 2010, vol. 15, # 3, p. 1967 - 1972 [2] Green Chemistry, 2009, vol. 11, # 1, p. 83 - 90 [3] European Journal of Medicinal Chemistry, 2013, vol. 66, p. 46 - 55 [4] Hoppe-Seyler's Zeitschrift fuer Physiologische Chemie, 1952, vol. 291, p. 1,4 [5] Journal of the American Pharmaceutical Association (1912-1977), 1942, vol. 31, p. 51 |
1-Hexadecylpyridinium bromide Preparation Products And Raw materials
| Raw materials | Pyridine-->1-Bromohexadecane |
| Preparation Products | 4-ISOPROPYLPHENYLACETIC ACID |
