Description
Clotrimazole Chemical Properties
| Melting point | 147-149°C |
| Boiling point | 501.14°C (rough estimate) |
| density | 1.1095 (rough estimate) |
| refractive index | 1.5940 (estimate) |
| storage temp. | 2-8°C |
| solubility | Soluble in chloroform, DMSO, DMF and alcohols |
| pka | pKa 4.7(EtOH 50%aq ) (Uncertain) |
| color | White to Almost white |
| Water Solubility | <10mg/L(25 ºC) |
| λmax | 556nm(Phosphate buffer sol.)(lit.) |
| Merck | 14,2417 |
| InChI | InChI=1S/C22H17ClN2/c23-21-14-8-7-13-20(21)22(25-16-15-24-17-25,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17H |
| InChIKey | VNFPBHJOKIVQEB-UHFFFAOYSA-N |
| SMILES | C1N(C(C2=CC=CC=C2Cl)(C2=CC=CC=C2)C2=CC=CC=C2)C=CN=1 |
| NIST Chemistry Reference | Clotrimazole(23593-75-1) |
Safety Information
| Hazard Codes | Xn |
| Risk Statements | 22-36/38 |
| Safety Statements | 26-36 |
| WGK Germany | 3 |
| RTECS | NI4377000 |
| HS Code | 29332900 |
| Hazardous Substances Data | 23593-75-1(Hazardous Substances Data) |
| Toxicity | LD50 in male mice, rats (mg/kg): 923, 708 orally (Tettenborn) |
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