Description

5-Bromoquinoline-8-carbonitrile (CAS No. 507476-70-2) is a high-purity heterocyclic organic compound with the molecular formula C₁₀H₅BrN₂. This specialized quinoline derivative features a bromo substituent at the 5-position and a cyano group at the 8-position, making it a valuable intermediate for pharmaceutical and materials science research. The compound is supplied as a crystalline solid with ≥95% purity (HPLC) and is rigorously tested for consistency in quality. Ideal for cross-coupling reactions, functional group transformations, and as a building block for complex molecular architectures. Packaged under inert gas to ensure stability and shipped with comprehensive analytical data (NMR, MS, HPLC).

Properties

• CAS Number: 507476-70-2
• Complexity: 232
• IUPAC Name: 5-bromoquinoline-8-carbonitrile
• InChI: InChI=1S/C10H5BrN2/c11-9-4-3-7(6-12)10-8(9)2-1-5-13-10/h1-5H
• InChI Key: DAYKHFAZOORREQ-UHFFFAOYSA-N
• Exact Mass: 231.96361
• Molecular Formula: C10H5BrN2
• Molecular Weight: 233.06
• SMILES: C1=CC2=C(C=CC(=C2N=C1)C#N)Br
• Topological: 36.7
• Monoisotopic Mass: 231.96361
• Synonyms: 5-bromoquinoline-8-carbonitrile, 507476-70-2, DTXSID10460934, DTXCID00411753, 826-631-9, 5-Bromo-quinoline-8-carbonitrile, MFCD21340269, 5-bromo-8-cyanoquinoline, SCHEMBL6495336, DAYKHFAZOORREQ-UHFFFAOYSA-N, HVA47670, AKOS016842706, CS-W004455, SB37413, DS-15907, SY041511, DB-023325, EN300-374417, O11391, A1-04923, Z1486006972

Application

5-Bromoquinoline-8-carbonitrile serves as a versatile precursor in medicinal chemistry for the synthesis of quinoline-based drug candidates, particularly in antiviral and anticancer research. Its bromo and cyano functional groups enable efficient participation in palladium-catalyzed cross-coupling reactions (e.g., Suzuki, Heck). Researchers also utilize it to develop luminescent materials and ligands for catalytic systems. The electron-withdrawing cyano group enhances its utility in nucleophilic aromatic substitution 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.