Description

(4-(2,7-Dibromo-9,9-dimethylacridin-10(9H)-yl)butyl)phosphonic acid (CAS: 2971088-37-4) is a high-purity, organobromine acridine derivative with a phosphonic acid functional group. This compound, with the molecular formula C₁₉H₂₂Br₂NO₃P, is designed for advanced research applications, particularly in organic electronics, photochemistry, and materials science. Its unique structure combines the electron-accepting properties of the dibromoacridine core with the anchoring capabilities of the phosphonic acid group, making it ideal for surface modification and interfacial engineering. The product is rigorously characterized by HPLC, NMR, and mass spectrometry to ensure ≥95% purity, meeting the stringent requirements of academic and industrial researchers. Available in milligram to gram quantities, it is supplied in amber glass vials under inert atmosphere to ensure stability.

Properties

• CAS Number: 2971088-37-4
• Complexity: 511
• IUPAC Name: 4-(2,7-dibromo-9,9-dimethyl-acridin-10-yl)butylphosphonic acid
• InChI: InChI=1S/C19H22Br2NO3P/c1-19(2)15-11-13(20)5-7-17(15)22(9-3-4-10-26(23,24)25)18-8-6-14(21)12-16(18)19/h5-8,11-12H,3-4,9-10H2,1-2H3,(H2,23,24,25)
• InChI Key: JJAXABRAPOOXMX-UHFFFAOYSA-N
• Exact Mass: 502.96836
• Molecular Formula: C19H22Br2NO3P
• Molecular Weight: 503.2
• SMILES: CC1(C2=C(C=CC(=C2)Br)N(C3=C1C=C(C=C3)Br)CCCCP(=O)(O)O)C
• Topological: 60.8
• Monoisotopic Mass: 500.97041
• Synonyms: (4-(2,7-dibromo-9,9-dimethylacridin-10(9h)-yl)butyl)phosphonic acid, 2971088-37-4, 987-144-6, SCHEMBL29274061

Application

This compound is primarily used as a key intermediate in the synthesis of organic semiconductors and photoactive materials. Its phosphonic acid group enables strong binding to metal oxide surfaces (e.g., ITO, ZnO), making it valuable for surface modification in optoelectronic devices like OLEDs and perovskite solar cells. Researchers also utilize it as a building block for fluorescent probes due to the acridine core’s 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 (100%): 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 (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.