(3S,4R)-4-(4-Fluorophenyl)-3-hydroxymethyl-1-methylpiperidine
- Product Name(3S,4R)-4-(4-Fluorophenyl)-3-hydroxymethyl-1-methylpiperidine
- CAS105812-81-5
- CBNumberCB5737006
- MFC13H18FNO
- MW223.29
- EINECS406-030-4
- MDL NumberMFCD06658161
- MOL File105812-81-5.mol
- MSDS FileSDS
Chemical 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 |
| 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) |
| FDA UNII | IDR7471BR7 |
Safety
| Symbol(GHS) |
  
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| 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 | |||||||||
| HazardClass | 9 | |||||||||
| PackingGroup | III | |||||||||
| HS Code | 29333999 | |||||||||
| NFPA 704: |
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