223749-46-0

Name N-[(3R,4S)-3,4-Dihydro-3-hydroxy-2,2-dimethyl-6-(4,4,4-trifluorobutoxy)-2H-1-benzopyran-4-yl]-N-methylmetanesulfonamide
CAS 223749-46-0
Molecular Formula C17H24F3NO5S
Molecular Weight 411.44
MOL File 223749-46-0.mol
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Chemical Properties

Melting point  178-179 °C
Boiling point  469.0±55.0 °C(Predicted)
density  1.35±0.1 g/cm3(Predicted)
storage temp.  Store at -20°C
solubility  Soluble in DMSO
form  Solid
pka 13.30±0.60(Predicted)
color  White to off-white
Optical Rotation [α]/D +2 to +3.5°, c =0.1 in methanol
InChI 1S/C17H24F3NO5S/c1-16(2)15(22)14(21(3)27(4,23)24)12-10-11(6-7-13(12)26-16)25-9-5-8-17(18,19)20/h6-7,10,14-15,22H,5,8-9H2,1-4H3/t14-,15+/m0/s1
InChIKey SRZRLJWUQFIZRH-LSDHHAIUSA-N
SMILES CC1([C@@H]([C@H](C2=CC(OCCCC(F)(F)F)=CC=C2O1)N(C)S(C)(=O)=O)O)C

Safety Data

WGK Germany  WGK 3
Storage Class 11 - Combustible Solids

Hazard Information

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