(3S,4R)-4-(4-Fluorophenyl)-3-hydroxymethyl-1-methylpiperidine
- CAS NO.：105812-81-5
- Empirical Formula: C13H18FNO
- Molecular Weight: 223.29
- MDL number: MFCD06658161
- EINECS: 406-030-4
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-03-22 14:56:18
What is (3S,4R)-4-(4-Fluorophenyl)-3-hydroxymethyl-1-methylpiperidine?
Chemical properties
white to light yellow crystal powde
The Uses of (3S,4R)-4-(4-Fluorophenyl)-3-hydroxymethyl-1-methylpiperidine
An intermediate in the synthesis of Paroxetine, a selective serotonin reuptake inhibitor.
The Uses of (3S,4R)-4-(4-Fluorophenyl)-3-hydroxymethyl-1-methylpiperidine
An intermediate in the synthesis of Paroxetine (P205750), a selective serotonin reuptake inhibitor.
Properties of (3S,4R)-4-(4-Fluorophenyl)-3-hydroxymethyl-1-methylpiperidine
| Melting point: | 97-101 °C |
| Boiling point: | 300.3±42.0 °C(Predicted) |
| alpha | -38 º (c=1, MeOH) |
| Density | 1.092±0.06 g/cm3(Predicted) |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | soluble in Methanol |
| pka | 14.93±0.10(Predicted) |
| form | powder to crystal |
| color | White to Almost white |
| 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 |
| CAS DataBase Reference | 105812-81-5(CAS DataBase Reference) |
Safety information for (3S,4R)-4-(4-Fluorophenyl)-3-hydroxymethyl-1-methylpiperidine
| Signal word | Danger |
| Pictogram(s) |
 Corrosion Corrosives GHS05  Exclamation Mark Irritant GHS07  Environment GHS09 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H318:Serious eye damage/eye irritation H401:Hazardous to the aquatic environment, acute hazard H411:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P262:Do not get in eyes, on skin, or on clothing. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P273:Avoid release to the environment. P280:Wear protective gloves/protective clothing/eye protection/face protection. P391:Collect spillage. Hazardous to the aquatic environment P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P501:Dispose of contents/container to..… |
Computed Descriptors for (3S,4R)-4-(4-Fluorophenyl)-3-hydroxymethyl-1-methylpiperidine
| InChIKey | CXRHUYYZISIIMT-AAEUAGOBSA-N |
| SMILES | N1(C)CC[C@@H](C2=CC=C(F)C=C2)[C@H](CO)C1 |
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