Description

6-Chloro-7-iodo-7-deazapurine (CAS No. 123148-78-7) is a high-purity heterocyclic compound with the molecular formula C₆H₃ClIN₃ and IUPAC name 4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine. This specialized chemical is a halogenated derivative of 7-deazapurine, featuring both chloro and iodo functional groups, making it a versatile intermediate for nucleoside synthesis and medicinal chemistry applications. Its unique structure allows for selective modifications, enabling researchers to develop novel pharmaceuticals, agrochemicals, or biochemical probes. Our product is rigorously tested for purity and stability, ensuring reliable performance in demanding laboratory environments. Available in various quantities, this compound is ideal for researchers seeking a high-quality building block for complex organic syntheses.

Properties

• CAS Number: 123148-78-7
• Complexity: 157
• IUPAC Name: 4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine
• InChI: InChI=1S/C6H3ClIN3/c7-5-4-3(8)1-9-6(4)11-2-10-5/h1-2H,(H,9,10,11)
• InChI Key: CBWBJFJMNBPWAL-UHFFFAOYSA-N
• Exact Mass: 278.90602
• Molecular Formula: C6H3ClIN3
• Molecular Weight: 279.46
• SMILES: C1=C(C2=C(N1)N=CN=C2Cl)I
• Topological: 41.6
• Monoisotopic Mass: 278.90602
• Synonyms: 6-Chloro-7-iodo-7-deazapurine, 626-377-7, 4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine, 123148-78-7, 4-Chloro-5-iodo-7H-pyrrol[2,3-d]pyrimidine, 4-Chloro-5-iodo-1H-pyrrolo[2,3-d]pyrimidine, 7H-PYRROLO[2,3-D]PYRIMIDINE, 4-CHLORO-5-IODO-, MFCD09263258, CHEMBL540994, 4-CHLORO-5-IODOPYRROLO[2,3-D]PYRIMIDINE, SCHEMBL61206, SCHEMBL1735817, DTXSID00564258, CBWBJFJMNBPWAL-UHFFFAOYSA-N, BCP07177, CS-M1580, BDBM50414152, AKOS015850517, AKOS015914474, FC32606, PB27990, 6-Chloro-7-iodo-7-deazapurine, 95%, AC-30827, HY-77336, SY011869, 4-chloro-5-iodo-pyrrolo[2,3-d]pyrimidine, DB-012184, 4-Chloro-5-iodo-pyrrolo[2,3-d]-pyrimidine, C3130, 4Chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine, EN300-171142, 4-chloro-5-iodo-7H-pyrrolo-[2,3-d]pyrimidine, 4-chloro-5-iodo-7H-pyrrolo[2,3-d]-pyrimidine, 2Y-0261, 4-chloro-5-iodo-7-H-pyrrolo[2,3-d]-pyrimidine, Z1269153491

Application

6-Chloro-7-iodo-7-deazapurine serves as a key intermediate in the synthesis of modified nucleosides and nucleotides, particularly in antiviral and anticancer drug development. Its reactive halogen groups enable efficient cross-coupling reactions, such as Suzuki or Sonogashira couplings, for creating diverse purine analogs. Researchers also utilize this compound in the study of enzyme inhibition and as a precursor for fluorescent or radiolabeled probes in biochemical assays.

Safety and Hazards

GHS Hazard Statements

• H302 (89.4%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (97.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (89.4%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (97.9%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.