140-72-7
Product Name:
1-Hexadecylpyridinium bromide
Formula:
C21H38BrN
Synonyms:
Cetylpyridinium bromide
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Cream-colored solid; [HSDB] White powder; [Acros Organics MSDS] |
|---|---|
| Color/Form | Cream-colored, waxy solid |
| Melting Point | 64.5 °C |
| Solubility | Soluble in acetone, ethanol, and chloroform |
| LogP | log Kow= 1.83 |
| Decomposition | When heated to decomposition it emits toxic vapors of /nitrogen oxides/ and /bromides/. |
| Other Experimental Properties | A quaternary ammonium compound |
| Chemical Classes | Nitrogen Compounds -> Quaternary Amines |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Skull and Crossbones Acute Toxicity GHS06 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H330:Acute toxicity,inhalation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation H413:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P260:Do not breathe dust/fume/gas/mist/vapours/spray. P273:Avoid release to the environment. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
| Molecular Weight | 384.4 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 15 |
| Exact Mass | 383.21876 g/mol |
| Monoisotopic Mass | 383.21876 g/mol |
| Topological Polar Surface Area | 3.9 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 208 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Cetylpyridinium bromide is a pyridinium salt that has N-hexadecylpyridinium as the cation and bromide as the anion. It has a role as a surfactant, an antiseptic drug and an EC 2.7.11.18 (myosin-light-chain kinase) inhibitor. It is a pyridinium salt and a bromide salt.