ChemicalBook--->CAS DataBase List--->346599-63-1

346599-63-1

346599-63-1 Structure

346599-63-1 Structure
IdentificationBack Directory
[Name]

4-chloro-5H-pyrrolo[2,3-d]pyrimidin-6(7H)-one
[CAS]

346599-63-1
[Synonyms]

4-chloro-5H-pyrrolo[2
3-d]pyriMidin-6(7H)-one
Tofacitinib Impurity 155
4-Chloro-5,7-dihydro-6H-p...
4-Chloro-5H-pyrrolo[2,3-d]pyrimidin-6(7H)
4-Chloro-5H,7H-pyrrolo[2,3-d]pyrimidin-6-one
4-chloro-1H-pyrrolo[2,3-d]pyrimidin-6(5H)-one
4-chloro-1H-pyrrolo[2,3-d]pyrimidin-6(7H)-one
4-chloro-5H-pyrrolo[2,3-d]pyrimidin-6(7H)-one
4-chloro-5H,6H,7H-pyrrolo[2,3-d]pyriMidin-6-one
4-chloro-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
4-chloro-1,5-dihydro-6H-pyrrolo[2,3-d]pyriMidin-6-one
4-Chloro-5,7-dihydro-6H-pyrrolo[2,3-d]pyrimidin-6-one
6H-Pyrrolo[2,3-d]pyrimidin-6-one, 4-chloro-5,7-dihydro-
4-chloro-5H-pyrrolo[2,3-d]pyriMidin-6(7H)-one C6H4ClN3O 169.57
[Molecular Formula]

C6H4ClN3O
[MDL Number]

MFCD09832903
[MOL File]

346599-63-1.mol
[Molecular Weight]

169.57
Chemical PropertiesBack Directory
[Boiling point ]

409.6±45.0 °C(Predicted)
[density ]

1.549±0.06 g/cm3(Predicted)
[storage temp. ]

Inert atmosphere,2-8°C
[pka]

10.12±0.20(Predicted)
[InChI]

InChI=1S/C6H4ClN3O/c7-5-3-1-4(11)10-6(3)9-2-8-5/h2H,1H2,(H,8,9,10,11)
[InChIKey]

PKKYYNMRPXEIFE-UHFFFAOYSA-N
[SMILES]

C1=NC(Cl)=C2CC(=O)NC2=N1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[HS Code ]

2933998090
Spectrum DetailBack Directory
[Spectrum Detail]

4-chloro-5H-pyrrolo[2,3-d]pyrimidin-6(7H)-one(346599-63-1)1HNMR
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