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848821-76-1

Name (S)-2-{Bis[3,5-bis(trifluoromethyl)phenyl]hydroxymethyl}pyrrolidine
CAS 848821-76-1
Molecular Formula C21H15F12NO
MDL Number MFCD10566964
Molecular Weight 525.33
MOL File 848821-76-1.mol

Chemical Properties

Melting point  113-117 °C
Boiling point  391.8±42.0 °C(Predicted)
density  1.465±0.06 g/cm3(Predicted)
storage temp.  2-8°C
form  powder to crystal
pka 12.26±0.29(Predicted)
color  White to Light yellow
Optical Rotation -52.535°(C=0.01g/ml CHCL3)
InChI InChI=1/C21H15F12NO/c22-18(23,24)12-4-10(5-13(8-12)19(25,26)27)17(35,16-2-1-3-34-16)11-6-14(20(28,29)30)9-15(7-11)21(31,32)33/h4-9,16,34-35H,1-3H2/t16-/s3
InChIKey ITXPGQOGEYWAKW-INIZCTEOSA-N
SMILES C(F)(F)(C1=CC(C(O)(C2C=C(C=C(C=2)C(F)(F)F)C(F)(F)F)[C@@H]2CCCN2)=CC(=C1)C(F)(F)F)F |&1:22,r|

Safety Data

WGK Germany  3
HS Code  2933.99.8290

Hazard Information

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