Description

1,8-Dinitro-9,10-anthraquinone (CAS No. 129-39-5) is a high-purity nitro-substituted anthraquinone derivative with the molecular formula C₁₄H₆N₂O₆. This bright yellow crystalline powder is a key intermediate in the synthesis of dyes, pigments, and specialty chemicals. With an IUPAC name of 1,8-dinitroanthracene-9,10-dione, this compound exhibits excellent thermal stability (decomposition >300°C) and low solubility in water but good solubility in organic solvents like DMSO and DMF. Our product is rigorously tested by HPLC to ensure >98% purity, making it ideal for research applications in organic synthesis, materials science, and photochemistry. Packaged in amber glass bottles under inert atmosphere to prevent degradation.

Key Specifications:
– Molecular Weight: 298.21 g/mol
– Melting Point: 290-295°C (dec.)
– Hazard Codes: Xi (Irritant)
– Storage: 2-8°C in dry, dark conditions

Properties

• CAS Number: 129-39-5
• Complexity: 492
• IUPAC Name: 1,8-dinitroanthracene-9,10-dione
• InChI: InChI=1S/C14H6N2O6/c17-13-7-3-1-5-9(15(19)20)11(7)14(18)12-8(13)4-2-6-10(12)16(21)22/h1-6H
• InChI Key: MBIJFIUDKPXMAV-UHFFFAOYSA-N
• Exact Mass: 298.02258592
• Molecular Formula: C14H6N2O6
• Molecular Weight: 298.21
• SMILES: C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)C3=C(C2=O)C=CC=C3[N+](=O)[O-]
• Topological: 126
• Monoisotopic Mass: 298.02258592
• Synonyms: 1,8-Dinitroanthraquinone, 129-39-5, 9,10-Anthracenedione, 1,8-dinitro-, Waxoline Violet BA, 1,8-dinitro-9,10-anthraquinone, Alizarine Violet R Base, C.I. Solvent Violet 14, Anthraquinone, 1,8-dinitro-, EINECS 204-943-0, NSC 37108, NSC-37108, P0846316GX, DTXSID9059599, DTXCID9033923, Anthraquinone, 1,8-dinitro-(8CI), 204-943-0, 1,8-Dinitroanthracene-9,10-dione, UNII-P0846316GX, 1,8-Dinitro-9,10-anthracenedione; 1,8-Dinitro-9,10-anthraquinone; Alizarine Violet R Base; NSC 37108; Waxoline Violet BA;, MFCD00604817, 9, 1,8-dinitro-, 1,8-dinitroanthroquinone, Anthraquinone,8-dinitro-, 1,8-dinitro-anthraquinone, SCHEMBL1303600, 1,8-Dinitroanthraquinone, 97%, HY-D0264, NSC37108, AKOS015897248, AKOS015960396, AC-10687, BP-30093, FD167806, MS-20627, CS-0010167, NS00024073, F87066, SR-01000325302, SR-01000325302-1, Q27285954

Application

1,8-Dinitro-9,10-anthraquinone serves as a crucial precursor in the manufacture of violet anthraquinone dyes for textiles and inks. Researchers utilize this compound to study nitroaromatic electron-accepting properties in organic semiconductor development. Its planar conjugated structure makes it valuable for investigating charge-transfer complexes in photochemical applications. The compound also finds use as a standard in analytical chemistry for HPLC method development.

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