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230615-59-5

230615-59-5 Structure

230615-59-5 Structure
IdentificationBack Directory
[Name]

2,3,4,5-Tetrahydro-7,8-dinitro-3-(trifluoroacetyl)-1,5-methano-1H-3-benzazepine
[CAS]

230615-59-5
[Synonyms]

8-dinitro-1
5-tetrahydro-7
Varenicline Impurity 14
Varenicline ortho-Dinitro Impurity
3-(Trifluoroacetyl)-7,8-dinitro-4,5-dihydro-1H-1,5-methanobenzo[d]azepine
2,3,4,5-Tetrahydro-7,8-dinitro-3-(trifluoroacetyl)-1,5-methano-1H-3-benzazepine
7,8-DINITRO-3-(TRIFLUOROACETYL)-2,3,4,5-TETRAHYDRO-1H-1,5-METHANO-3-BENZAZEPINE
1-(4,5-DINITRO-10-AZA-TRICYCLO[6.3.1.0]DODECA-2,4,6-TRIEN-10-YL)-2,2,2-TRIFLUORO-ETHANONE
1-(7,8-Dinitro-4,5-dihydro-1H-1,5-methanobenzo-[d]azepin-3(2H)-yl)-2,2,2-trifluoroethanone
2,2,2-Trifluoro-1-(1,2,4,5-tetrahydro-7,8-dinitro-1,5-Methano-3H-3-benzazepin-3-yl)ethanone
1-(7,8-dinitro-1,2,4,5-tetrahydro-1,5-methano-3H-3-benzazepin-3-yl)-2,2,2-trifluoroethanone
Ethanone, 2,2,2-trifluoro-1-(1,2,4,5-tetrahydro-7,8-dinitro-1,5-methano-3H-3-benzazepin-3-yl)-
1-(4,5-dinitro-10-aza-tricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-10-yl)-2,2,2-trifluoro-ethanone
1-(7,8-Dinitro-1,2,4,5-tetrahydro-3H-1,5-methanobenzo[d]azepin-3-yl)-2,2,2-trifluoroethan-1-one
1-(4,5-dinitro-10-aza-tricyclo[6.3.1.0(2,7)]dodeca-2(7),3,5-triene-10-yl)-2,2,2-trifluoro-ethanone
1-(4,5-DIAMINO-10-AZA-TRICYCLO(6.1.1.0)DODECA-2,4,6-TRIEN-10-YL)-2,2,2-TRIFLUORETHENONE (3RD COUNTRY EXPORT AS PER PAR
[Molecular Formula]

C13H10F3N3O5
[MDL Number]

MFCD10566032
[MOL File]

230615-59-5.mol
[Molecular Weight]

345.23
Chemical PropertiesBack Directory
[Melting point ]

175-177°C
[Boiling point ]

520.4±50.0 °C(Predicted)
[density ]

1.604
[storage temp. ]

Sealed in dry,2-8°C
[solubility ]

Chloroform (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

-1.93±0.20(Predicted)
[color ]

White to Light Yellow
[InChI]

InChI=1S/C13H10F3N3O5/c14-13(15,16)12(20)17-4-6-1-7(5-17)9-3-11(19(23)24)10(18(21)22)2-8(6)9/h2-3,6-7H,1,4-5H2
[InChIKey]

BDTXJBWOCIFUMR-UHFFFAOYSA-N
[SMILES]

C(=O)(N1CC2CC(C3=CC([N+]([O-])=O)=C([N+]([O-])=O)C=C32)C1)C(F)(F)F
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P280-P301+P312-P302+P352-P305+P351+P338
Hazard InformationBack Directory
[Uses]

Intermediate in the preparation of nicotinic receptor ligand analogs.
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