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620960-26-1

Name 1-[3,5-Bis(trifluoromethyl)phenyl]-3-[(1R,2R)-(-)-2-(dimethylamino)cyclohexyl]thiourea(R,R-TUC)
CAS 620960-26-1
Molecular Formula C17H21F6N3S
MDL Number MFCD09834839
Molecular Weight 413.428
MOL File 620960-26-1.mol

Chemical Properties

Melting point  87-88°C
alpha  -42° (c 1.05, CHCl3)
Boiling point  380.8±52.0 °C(Predicted)
density  1.33±0.1 g/cm3(Predicted)
storage temp.  2-8°C
form  Powder
pka 11.76±0.70(Predicted)
color  white
InChI InChI=1S/C17H21F6N3S/c1-26(2)14-6-4-3-5-13(14)25-15(27)24-12-8-10(16(18,19)20)7-11(9-12)17(21,22)23/h7-9,13-14H,3-6H2,1-2H3,(H2,24,25,27)/t13-,14-/m1/s1
InChIKey NQRCAVZHOLYEBJ-ZIAGYGMSSA-N
SMILES N(C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)C(N[C@@H]1CCCC[C@H]1N(C)C)=S

Safety Data

Symbol(GHS) 
GHS07
Signal word  Warning
Hazard statements  H335-H319-H315
Precautionary statements  P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

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