
105812-81-5
| Name | (3S,4R)-4-(4-Fluorophenyl)-3-hydroxymethyl-1-methylpiperidine |
| CAS | 105812-81-5 |
| EINECS(EC#) | 406-030-4 |
| Molecular Formula | C13H18FNO |
| MDL Number | MFCD06658161 |
| Molecular Weight | 223.29 |
| MOL File | 105812-81-5.mol |
Chemical Properties
| Appearance | white to light yellow crystal powde |
| Melting point | 97-101 °C |
| alpha | -38 º (c=1, MeOH) |
| Boiling point | 300.3±42.0 °C(Predicted) |
| density | 1.092±0.06 g/cm3(Predicted) |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | soluble in Methanol |
| form | powder to crystal |
| pka | 14.93±0.10(Predicted) |
| color | White to Almost white |
| Optical Rotation | Consistent with structure |
| Usage | An intermediate in the synthesis of Paroxetine, a selective serotonin reuptake inhibitor. |
| Major Application | pharmaceutical small molecule |
| InChI | InChI=1S/C13H18FNO/c1-15-7-6-13(11(8-15)9-16)10-2-4-12(14)5-3-10/h2-5,11,13,16H,6-9H2,1H3/t11-,13-/m0/s1 |
| InChIKey | CXRHUYYZISIIMT-AAEUAGOBSA-N |
| SMILES | N1(C)CC[C@@H](C2=CC=C(F)C=C2)[C@H](CO)C1 |
| CAS DataBase Reference | 105812-81-5(CAS DataBase Reference) |
Safety Data
| Symbol(GHS) | ![]() ![]() ![]() GHS05,GHS07,GHS09 |
| Signal word | Danger |
| Hazard statements | H302-H318-H411-H401 |
| Precautionary statements | P264-P270-P273-P280-P301+P312+P330-P305+P351+P338+P310-P391-P501-P261-P262-P280b-P305+P351+P338 |
| Hazard Codes | N-Xn,N,Xn |
| Risk Statements | |
| Safety Statements | |
| RIDADR | UN3077 |
| WGK Germany | WGK 2 |
| REACH Registrations | Active |
| HazardClass | 9 |
| PackingGroup | III |
| HS Code | 29333999 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral Aquatic Chronic 2 Eye Dam. 1 |


