Description

Spiro(isobenzofuran-1(3H),9′-(9H)xanthen)-3-one, 6′-(diethylamino)-1′,3′-dimethyl- (CAS No. 21934-68-9) is a high-purity fluoran derivative with the molecular formula C₂₆H₂₅NO₃. This compound is widely recognized for its role as a key intermediate in thermochromic and photochromic materials, particularly in the production of pressure-sensitive and heat-sensitive recording papers. Its unique spiroxanthene structure enables reversible color changes under specific stimuli, making it invaluable in advanced material science applications. With a molecular weight of 399.48 g/mol, this compound exhibits excellent thermal stability and solubility in organic solvents such as ethanol, acetone, and DMF. Suitable for research and industrial use, it is supplied with comprehensive analytical data including HPLC, NMR, and MS to ensure quality and consistency.

Properties

• CAS Number: 21934-68-9
• Complexity: 648
• IUPAC Name: 6′-(diethylamino)-1′,3′-dimethyl-spiro[isobenzofuran-3,9′-xanthene]-1-one
• InChI: InChI=1S/C26H25NO3/c1-5-27(6-2)18-11-12-21-22(15-18)29-23-14-16(3)13-17(4)24(23)26(21)20-10-8-7-9-19(20)25(28)30-26/h7-15H,5-6H2,1-4H3
• InChI Key: XUFBVJQHCCCPNM-UHFFFAOYSA-N
• Exact Mass: 399.18344366
• Molecular Formula: C26H25NO3
• Molecular Weight: 399.5
• SMILES: CCN(CC)C1=CC2=C(C=C1)C3(C4=CC=CC=C4C(=O)O3)C5=C(C=C(C=C5O2)C)C
• Topological: 38.8
• Monoisotopic Mass: 399.18344366
• Synonyms: EINECS 244-667-8, DTXSID70885184, Fluoran, 3′-(diethylamino)-6′,8′-dimethyl-, Spiro[isobenzofuran-1(3H),9′-[9H]xanthen]-3-one, 6′-(diethylamino)-1′,3′-dimethyl-, 6′-(Diethylamino)-1′,3′-dimethylspiro(isobenzofuran-1(3H),9′-(9H)xanthene)-3-one, Spiro(isobenzofuran-1(3H),9′-(9H)xanthen)-3-one, 6′-(diethylamino)-1′,3′-dimethyl-, 6′-(diethylamino)-1′,3′-dimethylspiro[isobenzofuran-1(3H),9′-[9H]xanthene]-3-one, DTXCID601024578, 244-667-8, 21934-68-9, 6′-(Diethylamino)-1′,3′-dimethylfluoran, 6′-(Diethylamino)-1′,3′-dimethyl-3H-spiro[isobenzofuran-1,9′-xanthen]-3-one, 6′-(diethylamino)-1′,3′-dimethylspiro[2-benzofuran-3,9′-xanthene]-1-one, 3′-(diethylamino)-6′,8′-dimethyl-3H-spiro[2-benzofuran-1,9′-xanthen]-3-one, MFCD08276349, SCHEMBL1930060, XUFBVJQHCCCPNM-UHFFFAOYSA-N, 6-(Diethylamino)-1,3-Dimethylfluora, AKOS027320242, AS-73262, CS-0373911, D3202, NS00050820, D90154, 6′-(diethylamino)-1′,3′-dimethylspiro[2-benzofuran-3,9′-xanthene]-1-one

Application

This fluoran derivative is primarily used in the development of thermosensitive and photosensitive dyes for applications in carbonless copy paper, thermal printing, and security inks. Its chromogenic properties make it ideal for research in smart materials and sensors. Additionally, it serves as a precursor in synthetic chemistry for designing advanced functional materials with stimuli-responsive behavior.

Safety and Hazards

GHS Hazard Statements

• Not Classified
• Reported as not meeting GHS hazard criteria by 12 of 12 companies. For more detailed information, please visit ECHA C&L website.

Hazard Classes and Categories

• Not Classified

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