6-Chloro-7-deazapurine - CAS 3680-69-1

Catalog: BB023084
Product Name: 6-Chloro-7-deazapurine
CAS: 3680-69-1
Synonyms: 4-Chloro-1H-pyrrolo[2,3-d]pyrimidine; 4-Chloropyrrolo[2,3-d]pyrimidine; NSC 64952
6-Chloro-7-deazapurine
Related CAS:1243346-92-0 (monohydrochloride)
IUPAC Name:4-chloro-7H-pyrrolo[2,3-d]pyrimidine
Description:One of the impurities of Tofacitinib, which is a Janus kinase inhibitor and could be used against rheumatoid arthritis.
Molecular Weight:153.57
Molecular Formula:C6H4ClN3
Canonical SMILES:C1=CNC2=C1C(=NC=N2)Cl
InChI:InChI=1S/C6H4ClN3/c7-5-4-1-2-8-6(4)10-3-9-5/h1-3H,(H,8,9,10)
InChI Key:BPTCCCTWWAUJRK-UHFFFAOYSA-N
Boiling Point:289.2±50.0°C (Predicted)
Melting Point:188-194°C
Purity:≥98% by HPLC
Density:1.61±0.1 g/cm3 (Predicted)
Solubility:Soluble in DMSO (Slightly), Methanol (Slightly)
Appearance:Yellow to Dark Brown Solid
Storage:Store at -20°C
MDL:MFCD01686865
LogP:1.61130

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Related Functional Groups

Purines

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