Description

4-Chloro-6-iodoquinazoline (CAS No. 98556-31-1) is a high-purity halogenated quinazoline derivative with the molecular formula C₈H₄ClIN₂. This heterocyclic aromatic compound is a valuable synthetic intermediate in medicinal chemistry and pharmaceutical research, particularly in the development of kinase inhibitors and targeted therapeutics. The presence of both chloro and iodo substituents on the quinazoline scaffold enhances its reactivity for cross-coupling reactions and further functionalization. Our product is rigorously tested to ensure ≥95% purity by HPLC and is supplied as a crystalline solid with full spectroscopic characterization data (1H NMR, 13C NMR, LC-MS). Ideal for high-throughput screening and structure-activity relationship studies, this compound is packaged under inert atmosphere to ensure stability and shipped with a comprehensive Certificate of Analysis.

Properties

• CAS Number: 98556-31-1
• Complexity: 167
• IUPAC Name: 4-chloro-6-iodo-quinazoline
• InChI: InChI=1S/C8H4ClIN2/c9-8-6-3-5(10)1-2-7(6)11-4-12-8/h1-4H
• InChI Key: BDAIUOPDSRAOKI-UHFFFAOYSA-N
• Exact Mass: 289.91077
• Molecular Formula: C8H4ClIN2
• Molecular Weight: 290.49
• SMILES: C1=CC2=C(C=C1I)C(=NC=N2)Cl
• Topological: 25.8
• Monoisotopic Mass: 289.91077
• Synonyms: 4-chloro-6-iodoquinazoline, 98556-31-1, DTXSID50457722, DTXCID40408541, 801-828-2, QUINAZOLINE, 4-CHLORO-6-IODO-, 4-chloro-6-iodo-quinazoline, MFCD01862193, 6-Iodo-4-chloroquinazoline;, 6-iodo-4-chloroquinazoline, 4chloro-6-iodoquinazoline, 6-iodo4-chloroquinazoline, 4-chloro-6-iodo quinazoline, SCHEMBL140574, 4-chloro-6-iodo-quinazoline-, BDAIUOPDSRAOKI-UHFFFAOYSA-N, BCP22644, AKOS015851274, AC-8507, CS-W019529, FC32925, PB19952, AS-11431, SY020620, C2775, EN300-80629, C50065, AR-527/43405044, Z1222427648

Application

4-Chloro-6-iodoquinazoline serves as a key building block in the synthesis of biologically active quinazoline derivatives, particularly EGFR and VEGFR kinase inhibitors. The iodo substituent enables palladium-catalyzed cross-coupling reactions (Suzuki, Sonogashira) for library diversification in drug discovery. Researchers utilize this intermediate to develop anticancer agents targeting tyrosine kinase signaling pathways. Its chloro group facilitates nucleophilic substitution for introducing amine or alkoxy functionalities.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

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

Hazard Classes and Categories

• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (100%)
• STOT SE 3 (66.7%)

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