ChemicalBook--->CAS DataBase List--->1155846-86-8

1155846-86-8

1155846-86-8 Structure

1155846-86-8 Structure
IdentificationBack Directory
[Name]

MK -1439 intermediate
[CAS]

1155846-86-8
[Synonyms]

MK -1439 intermediate
3-Chloro-5-[[1,2-dihydro-2-oxo-4-(trifluoromethyl)-3-pyridinyl]oxy]benzonitrile
Benzonitrile, 3-chloro-5-[[1,2-dihydro-2-oxo-4-(trifluoromethyl)-3-pyridinyl]oxy]-
[Molecular Formula]

C13H6ClF3N2O2
[MOL File]

1155846-86-8.mol
[Molecular Weight]

314.65
Chemical PropertiesBack Directory
[Boiling point ]

409.4±45.0 °C(Predicted)
[density ]

1.54±0.1 g/cm3(Predicted)
[pka]

10.03±0.10(Predicted)
[InChI]

InChI=1S/C13H6ClF3N2O2/c14-8-3-7(6-18)4-9(5-8)21-11-10(13(15,16)17)1-2-19-12(11)20/h1-5H,(H,19,20)
[InChIKey]

HWTORHRJFMRBLG-UHFFFAOYSA-N
[SMILES]

C(#N)C1=CC(OC2=C(C(F)(F)F)C=CNC2=O)=CC(Cl)=C1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P280-P305+P351+P338
[REACH Registrations]

Active
Hazard InformationBack Directory
[Description]

3-Chloro-5-((2-oxo-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl)oxy)benzonitrile is a pharmaceutical intermediate compound, which can be used in the preparation of Doravirine. Doravirine is a non-nucleoside reverse transcriptase inhibitor that needs to be used in combination with other anti-HIV drugs for the treatment of patients who have not previously received HIV-1 antiretroviral therapy.
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