| Identification | Back Directory | [Name]
2-(3,5-bis(trifluoroMethyl)phenyl)-2-Methyl propanoic acid | [CAS]
289686-70-0 | [Synonyms]
Netupitant SM1
Netupitant int4
α,α-DiMethyl-3,5-bis(trifluoroMethyl)benzeneaceticAcid
2-(3,5-bis(trifluoroMethyl)phenyl)-2-Methyl propanoic acid
Benzeneacetic acid, α,α-dimethyl-3,5-bis(trifluoromethyl)- | [EINECS(EC#)]
-0 | [Molecular Formula]
C12H10F6O2 | [MDL Number]
MFCD09032572 | [MOL File]
289686-70-0.mol | [Molecular Weight]
300.197 |
| Chemical Properties | Back Directory | [Melting point ]
105.5-107℃ | [Boiling point ]
232.5±35.0 °C(Predicted) | [density ]
1.378±0.06 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,Room Temperature | [pka]
4.06±0.14(Predicted) | [InChI]
InChI=1S/C12H10F6O2/c1-10(2,9(19)20)6-3-7(11(13,14)15)5-8(4-6)12(16,17)18/h3-5H,1-2H3,(H,19,20) | [InChIKey]
ORLKRFYFNMCQIG-UHFFFAOYSA-N | [SMILES]
C(O)(=O)C(C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)(C)C |
| Hazard Information | Back Directory | [Uses]
2-?(3,?5-?Bis(trifluoromethyl)?phenyl)?-?2-?methylpropanoic Acid is a reagent used in the synthesis of NK1/NK3 receptor antagonists used in the treatment of depression. |
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