Description

8-Chloroisoquinoline (CAS No. 34784-07-1) is a high-purity heterocyclic organic compound with the molecular formula C₉H₆ClN. This chlorinated isoquinoline derivative is a valuable building block in pharmaceutical and agrochemical research, offering versatile reactivity for functionalization and derivatization. Its rigid bicyclic structure and electron-deficient aromatic system make it an ideal scaffold for medicinal chemistry applications, particularly in the development of kinase inhibitors and other bioactive molecules.

Our 8-Chloroisoquinoline is synthesized under strict quality control measures, ensuring ≥98% purity (HPLC) with comprehensive analytical data including ¹H NMR, ¹³C NMR, and mass spectrometry. The compound is supplied as a crystalline solid with excellent shelf stability when stored at 2-8°C under inert atmosphere. Suitable for use in cross-coupling reactions, nucleophilic substitutions, and metal-catalyzed transformations.

Properties

• CAS Number: 34784-07-1
• Complexity: 138
• IUPAC Name: 8-chloroisoquinoline
• InChI: InChI=1S/C9H6ClN/c10-9-3-1-2-7-4-5-11-6-8(7)9/h1-6H
• InChI Key: OXAMVYYZTULFIB-UHFFFAOYSA-N
• Exact Mass: 163.0188769
• Molecular Formula: C9H6ClN
• Molecular Weight: 163.60
• SMILES: C1=CC2=C(C=NC=C2)C(=C1)Cl
• Topological: 12.9
• Monoisotopic Mass: 163.0188769
• Synonyms: 8-chloroisoquinoline, 34784-07-1, isoquinoline, 8-chloro-, DTXSID70348825, DTXCID60299897, inchi=1/c9h6cln/c10-9-3-1-2-7-4-5-11-6-8(7)9/h1-6, 8-Chloro-isoquinoline, MFCD07644622, SCHEMBL619607, SCHEMBL16597454, 8-Chloroisoquinoline, AldrichCPR, OXAMVYYZTULFIB-UHFFFAOYSA-N, AKOS005255311, CS-W022565, PS-6079, SB36756, SY019969, DB-029389, EN300-215652, Z1201624136

Application

8-Chloroisoquinoline serves as a key intermediate in the synthesis of various biologically active compounds, particularly in pharmaceutical research targeting neurological disorders and cancer therapies. The chlorinated isoquinoline core is frequently employed in the development of kinase inhibitors due to its ability to interact with ATP-binding sites. Researchers utilize this compound as a versatile scaffold for constructing more complex molecular architectures through palladium-catalyzed cross-coupling reactions.

Safety and Hazards

GHS Hazard Statements

• H302+H312+H332 (50%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
• H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (100%): 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (50%)
• Acute Tox. 4 (50%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (100%)
• Acute Tox. 4 (50%)
• STOT SE 3 (100%)

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