HuagongsheHuagongshe Chemistry Print Report · For research reference only
cis-2-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolane-4-methanol
trans-2-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolane-4-methanol · 1,3-Dioxolane-4-methanol, 2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-, trans- · ((2S,4S)-2-((1H-Imidazol-1-yl)methyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methanol

Identifiers & Physical Properties
| CAS No. | 61441-65-4 |
|---|---|
| Molecular formula | C14H14Cl2N2O3 |
| Average molar mass | 329.2 g/mol |
| Monoisotopic mass | 328.0381477 g/mol |
| SMILES | OC[C@@H]1CO[C@](Cn2ccnc2)(c2ccc(Cl)cc2Cl)O1 |
| InChIKey | VJZJGRMLFMJRGG-RISCZKNCSA-N |
| PubChem CID | 794635 |
| EC No. | 612-146-8 |
| DTXSID | DTXSID201129251 |
Chemical & Physical Properties
| XLogP | 2.6 |
|---|---|
| Topological polar surface area | 56.5 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 4 |
| Heavy atoms | 21 |
| Formal charge | 0 |
| Complexity | 363 |
| Melting point | >78°C (dec.) |
| Storage conditions | Refrigerator |
| Solubility | Chloroform (Slightly), Methanol (Slightly) |
| Physical state | Solid |
| Color | White to Off-White |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H302-H315-H319-H335 |
| GHS precautionary statements | P280-P305+P351+P338 |
Safety & Regulations
| Signal word | Warning |
|---|---|
| GHS pictogram | GHS07 |
| GHS hazard statements | H302-H315-H319-H335 |
| GHS precautionary statements | P280-P305+P351+P338 |
Applications & Uses
Uses
trans-2-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolane-4-methanol is an impurity of Ketoconazole (K186000).