Description

1,3-Dichloroisoquinoline (CAS No. 7742-73-6) is a high-purity heterocyclic organic compound with the molecular formula C₉H₅Cl₂N. This versatile chemical building block is widely used in pharmaceutical and agrochemical research due to its reactive dichloro-substituted isoquinoline core. Our product is synthesized under strict quality control measures, ensuring ≥98% purity by HPLC analysis. The compound is supplied as a crystalline solid with excellent batch-to-batch consistency, characterized by NMR and mass spectrometry. Ideal for nucleophilic substitution reactions, metal-catalyzed cross-coupling, and as a precursor for more complex isoquinoline derivatives. Packaged under inert atmosphere in amber glass vials to ensure stability during storage and shipping.

Key specifications:

• Molecular Weight: 198.05 g/mol
• Melting Point: 92-95°C
• Storage Conditions: 2-8°C under inert atmosphere
• Hazard Class: Irritant (GHS05)

Properties

• CAS Number: 7742-73-6
• Complexity: 163
• IUPAC Name: 1,3-dichloroisoquinoline
• InChI: InChI=1S/C9H5Cl2N/c10-8-5-6-3-1-2-4-7(6)9(11)12-8/h1-5H
• InChI Key: BRGZEQXWZWBPJH-UHFFFAOYSA-N
• Exact Mass: 196.9799046
• Molecular Formula: C9H5Cl2N
• Molecular Weight: 198.05
• SMILES: C1=CC=C2C(=C1)C=C(N=C2Cl)Cl
• Topological: 12.9
• Monoisotopic Mass: 196.9799046
• Synonyms: 1,3-dichloroisoquinoline, 7742-73-6, isoquinoline, 1,3-dichloro-, DTXSID20305468, DTXCID30256598, 627-814-4, inchi=1/c9h5cl2n/c10-8-5-6-3-1-2-4-7(6)9(11)12-8/h1-5, 1,3-Dichloro-isoquinoline, MFCD00034750, NSC170843, SCHEMBL165745, 1,3-Dichloroisoquinoline, 97%, BRGZEQXWZWBPJH-UHFFFAOYSA-N, ALBB-021285, CL1001, SBB003563, AKOS001208897, AC-7548, CS-W002162, HY-W002162, NSC 170843, NSC-170843, PB17073, AS-15997, BP-12423, SY007666, D4285, EN300-23800, AC-907/25014223, Z164708538

Application

1,3-Dichloroisoquinoline serves as a key intermediate in the synthesis of biologically active compounds, particularly in medicinal chemistry for developing kinase inhibitors and antimicrobial agents. The dichloro-substitution pattern allows for selective functionalization at either the 1- or 3-position, making it valuable for structure-activity relationship studies. Researchers utilize this compound in palladium-catalyzed cross-coupling reactions to create diverse isoquinoline libraries for drug discovery programs. Its reactivity also finds applications in materials science for constructing organic electronic materials with unique photophysical properties.

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 (97.6%): 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. 2 (100%)
• STOT SE 3 (97.6%)

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