Physicochemical Properties
| Molecular Formula | C13H11N3O |
| Molecular Weight | 225.25 |
| Exact Mass | 225.09 |
| CAS # | 2440-22-4 |
| PubChem CID | 17113 |
| Appearance | White to off-white solid powder |
| Density | 1.38 |
| Boiling Point | 276.1ºC at 760mmHg |
| Melting Point | 125.5-129.5 °C(lit.) |
| Flash Point | 133.9ºC |
| Vapour Pressure | 4.81E-07mmHg at 25°C |
| Index of Refraction | 1.765 |
| LogP | 2.434 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Heavy Atom Count | 17 |
| Complexity | 259 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | MCPKSFINULVDNX-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C13H11N3O/c1-9-6-7-13(17)12(8-9)16-14-10-4-2-3-5-11(10)15-16/h2-8,17H,1H3 |
| Chemical Name | 2-(benzotriazol-2-yl)-4-methylphenol |
| HS Tariff Code | 2934.99.9001 |
| Storage |
Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture. |
| Shipping Condition | Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs) |
Biological Activity
| References |
[1]. Risk Assessment of Drometrizole, a Cosmetic Ingredient used as an Ultraviolet Light Absorber. Toxicol Res. 2019;35(2):119-129. |
| Additional Infomation | Drometrizole is a member of triazoles. |
Solubility Data
| Solubility (In Vitro) | DMSO: 50 mg/mL (221.98 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (11.10 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), suspension solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.  (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 4.4395 mL | 22.1976 mL | 44.3951 mL | |
| 5 mM | 0.8879 mL | 4.4395 mL | 8.8790 mL | |
| 10 mM | 0.4440 mL | 2.2198 mL | 4.4395 mL |