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HomeProduct name list(3S,4R)-4-(4-Fluorophenyl)-3-hydroxymethyl-1-methylpiperidine

(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
(3S,4R)-4-(4-Fluorophenyl)-3-hydroxymethyl-1-methylpiperidine Structural

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)
ghs
Corrosion
Corrosives
GHS05
ghs
Exclamation Mark
Irritant
GHS07
ghs
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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