(3S,4R)-4-(4-Fluorophenyl)-1-methyl-3-piperidinemethanol , 98% , 105812-81-5

CAS NO.：105812-81-5

Empirical Formula: C13H18FNO

Molecular Weight: 223.29

MDL number: MFCD06658161

EINECS: 406-030-4

PRODUCT Properties

• 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 activity: Consistent with structure
• 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)

Description and Uses

An intermediate in the synthesis of Paroxetine (P205750), a selective serotonin reuptake inhibitor.

Safety

• 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: 51/53-41-22
• Safety Statements: 61-39-26-22-37/39-24
• RIDADR: UN3077
• WGK Germany: WGK 2
• HazardClass: 9
• PackingGroup: III
• HS Code: 29333999
• Storage Class: 11 - Combustible Solids
• Hazard Classifications: Acute Tox. 4 Oral; Aquatic Chronic 2; Eye Dam. 1