4-((1R,2R)-2-Hydroxycyclohexyl)-2(trifluoromethyl)benzonitrile
- Product Name4-((1R,2R)-2-Hydroxycyclohexyl)-2(trifluoromethyl)benzonitrile
- CAS1076225-27-8
- MFC14H14F3NO
- MW269.26
- EINECS
- MOL File1076225-27-8.mol
Chemical Properties
| Melting point | 89-91 °C |
| Boiling point | 365.2±42.0 °C(Predicted) |
| Density | 1.28±0.1 g/cm3(Predicted) |
| storage temp. | Store at +4°C |
| solubility | DMSO: ≥10mg/mL |
| form | powder |
| pka | 14.84±0.40(Predicted) |
| color | white to off-white |
| InChI | 1S/C14H14F3NO/c15-14(16,17)12-7-9(5-6-10(12)8-18)11-3-1-2-4-13(11)19/h5-7,11,13,19H,1-4H2/t11-,13-/m1/s1 |
| InChIKey | MENRRRXHFQYXDW-DGCLKSJQSA-N |
| SMILES | O[C@@H]1CCCC[C@@H]1c2ccc(C#N)c(c2)C(F)(F)F |
Safety Information
| Hazard Codes | Xn |
| Risk Statements | 22-36 |
| Safety Statements | 26 |
| WGK Germany | 3 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral Eye Irrit. 2 |
