Description

Spiro(isobenzofuran-1(3H),9′-(9H)xanthen)-3-one, 3′,6′-dimethoxy- (CAS: 36886-76-7) is a high-purity fluoran derivative with the molecular formula C₂₂H₁₆O₅. This compound is widely recognized in the chemical and materials science industries for its role as a key intermediate in thermochromic and photochromic applications. With a molecular weight of 360.36 g/mol, it exhibits excellent stability and reactivity, making it ideal for advanced research in organic synthesis and functional materials. The product is supplied as a fine powder, ensuring uniformity and ease of handling for laboratory and industrial use. Its high purity (>98%) is verified by HPLC and NMR analysis, meeting stringent quality standards for researchers and scientists.

Properties

• CAS Number: 36886-76-7
• Complexity: 549
• IUPAC Name: 3′,6′-dimethoxyspiro[isobenzofuran-3,9′-xanthene]-1-one
• InChI: InChI=1S/C22H16O5/c1-24-13-7-9-17-19(11-13)26-20-12-14(25-2)8-10-18(20)22(17)16-6-4-3-5-15(16)21(23)27-22/h3-12H,1-2H3
• InChI Key: GRIKUIPJBHJPPN-UHFFFAOYSA-N
• Exact Mass: 360.09977361
• Molecular Formula: C22H16O5
• Molecular Weight: 360.4
• SMILES: COC1=CC2=C(C=C1)C3(C4=C(O2)C=C(C=C4)OC)C5=CC=CC=C5C(=O)O3
• Topological: 54
• Monoisotopic Mass: 360.09977361
• Synonyms: Spiro[isobenzofuran-1(3H),9′-[9H]xanthen]-3-one, 3′,6′-dimethoxy-, EINECS 253-255-7, DTXSID2068006, Spiro(isobenzofuran-1(3H),9′-(9H)xanthen)-3-one, 3′,6′-dimethoxy-, DTXCID7039254, 36886-76-7, 3′,6′-Dimethoxyfluoran, 3,6-DIMETHOXYFLUORAN, 3′,6′-Dimethoxy-3H-spiro[isobenzofuran-1,9′-xanthen]-3-one, 3′,6′-dimethoxyspiro[2-benzofuran-3,9′-xanthene]-1-one, VR6T85J6PC, SCHEMBL1930643, GRIKUIPJBHJPPN-UHFFFAOYSA-N, 3′,6′-Dimethoxyspiro[isobenzofuran-1(3H),9′-[9H]xanthen]-3-one, MFCD08276350, D3205, NS00030114, F71382, 3′,6′-Dimethoxyspiro(isobenzofuran-1(3H),9′-(9H)xanthene)-3-one

This fluoran derivative is primarily used in the development of thermosensitive and photosensitive materials, including leuco dyes for thermal paper and smart coatings. It serves as a critical precursor in synthesizing advanced chromogenic compounds for applications in sensors, security inks, and optical data storage. Researchers also utilize it in organic electronics due to its unique photophysical properties.

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