Description

2-Anilino-3-methyl-6-(N-ethyl-N-isoamylamino)fluoran (CAS No. 70516-41-5) is a high-purity fluoran derivative with the molecular formula C₃₄H₃₄N₂O₃. This specialized organic compound is widely utilized in thermochromic and photochromic applications due to its unique spiroxanthene structure. The IUPAC name, 2′-anilino-6′-[ethyl(3-methylbutyl)amino]-3′-methylspiro[2-benzofuran-3,9′-xanthene]-1-one, reflects its complex molecular architecture. With a molecular weight of 518.65 g/mol, this compound exhibits excellent thermal stability and reversible color-changing properties under specific conditions. It is supplied as a fine powder with ≥95% purity (HPLC), ensuring consistency for research and industrial applications. Proper storage at 2-8°C in airtight containers is recommended to maintain stability.

Properties

• CAS Number: 70516-41-5
• Complexity: 842
• IUPAC Name: 2′-anilino-6′-[ethyl(isopentyl)amino]-3′-methyl-spiro[isobenzofuran-3,9′-xanthene]-1-one
• InChI: InChI=1S/C34H34N2O3/c1-5-36(18-17-22(2)3)25-15-16-28-32(20-25)38-31-19-23(4)30(35-24-11-7-6-8-12-24)21-29(31)34(28)27-14-10-9-13-26(27)33(37)39-34/h6-16,19-22,35H,5,17-18H2,1-4H3
• InChI Key: HUSIBQLZEMMTCQ-UHFFFAOYSA-N
• Exact Mass: 518.25694295
• Molecular Formula: C34H34N2O3
• Molecular Weight: 518.6
• SMILES: CCN(CCC(C)C)C1=CC2=C(C=C1)C3(C4=CC=CC=C4C(=O)O3)C5=C(O2)C=C(C(=C5)NC6=CC=CC=C6)C
• Topological: 50.8
• Monoisotopic Mass: 518.25694295
• Physical Description: Dry Powder
• Synonyms: 70516-41-5, 2′-anilino-6′-[ethyl(3-methylbutyl)amino]-3′-methylspiro[isobenzofuran-1(3H),9′-[9H]xanthene]-3-one, 6′-(N-Isoamyl-N-ethylamino)-3′-methyl-2′-phenylaminofluoran, EINECS 274-641-1, Z9ZL7M98QS, 2-Anilino-3-methyl-6-(N-ethyl-N-isoamylamino)fluoran, S-205, DTXSID90867922, EC 274-641-1, 3-(Ethylisoamylamino)-6-methyl-7-anilinofluoran, Spiro(isobenzofuran-1(3H),9′-(9H)xanthen)-3-one, 6′-(ethyl(3-methylbutyl)amino)-3′-methyl-2′-(phenylamino)-, Spiro[isobenzofuran-1(3H),9′-[9H]xanthen]-3-one, 6′-[ethyl(3-methylbutyl)amino]-3′-methyl-2′-(phenylamino)-, 2′-Anilino-6′-(ethyl(3-methylbutyl)amino)-3′-methylspiro(isobenzofuran-1(3H),9′-(9H)xanthene)-3-one, 6′-(ETHYL(3-METHYLBUTYL)AMINO)-3′-METHYL-2′-(PHENYLAMINO)SPIRO(ISOBENZOFURAN-1(3H),9′-(9H)XANTHEN)-3-ONE, 6′-[Ethyl(3-methylbutyl)amino]-3′-methyl-2′-(phenylamino)spiro[isobenzofuran-1(3H),9′-[9H]xanthen]-3-one, DTXCID90816071, 6′-(Ethyl(isopentyl)amino)-3′-methyl-2′-(phenylamino)-3H-spiro[isobenzofuran-1,9′-xanthen]-3-one, 6′-(ethyl-(3-methylbutyl)amino)-3′-methyl-2′-(phenylamino)spiro[2-benzofuran-3,9′-xanthene]-1-one, 2′-anilino-6′-[ethyl(3-methylbutyl)amino]-3′-methylspiro[2-benzofuran-3,9′-xanthene]-1-one, 6′-[ethyl(3-methylbutyl)amino]-3′-methyl-2′-(phenylamino)-3H-spiro[2-benzofuran-1,9′-xanthen]-3-one, C34H34N2O3, MFCD11044531, UNII-Z9ZL7M98QS, SCHEMBL1592338, HUSIBQLZEMMTCQ-UHFFFAOYSA-N, HUN16415, AKOS015896394, DS-19361, Spiro[isobenzofuran-1(3H),9′-[9H]xanthen]-3-one,6′-[ethyl(3-methylbutyl)amino]-3′-methyl-2′-(phenylamino)-, DB-074312, CS-0152023, NS00003007, D97384, Q27295198, 2-anilino-3-methyl-6-(N-ethyl-N-isopentylamino)fluoran

Application

This fluoran derivative is primarily employed as a key component in thermochromic inks and leuco dyes for applications such as temperature-sensitive labels and security printing. Its reversible color change properties make it valuable in smart packaging solutions where temperature monitoring is required. Researchers also utilize this compound in developing novel photochromic materials for optical data storage and light-sensitive applications. The ethyl-isoamylamino substitution pattern contributes to its unique solvatochromic behavior, making it interesting for solvent polarity studies.

Safety and Hazards

GHS Hazard Statements

• Not Classified
• Reported as not meeting GHS hazard criteria by 9 of 9 companies. For more detailed information, please visit ECHA C&L website.

Hazard Classes and Categories

• Not Classified

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