[9-(2-ethoxycarbonylphenyl)-6-(ethylamino)-2,7-dimethylxanthen-3-ylidene]-ethylazanium tetrafluoroborate

CAS: 54854-14-7

Molecular Formula	`C28H31BF4N2O3`
Molecular Weight	530.4 g/mol
Topological Polar Surface Area	61.5 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	9
Rotatable Bonds	7
Exact Mass	530.2364
Heavy Atoms	38
Complexity	842.0

Chemical Identifiers

CAS Number	54854-14-7
SMILES	`[B-](F)(F)(F)F.CCNC1=CC2=C(C=C1C)C(=C3C=C(C(=[NH+]CC)C=C3O2)C)C4=CC=CC=C4C(=O)OCC`
InChIKey	`ZWOFOSITRJRBCK-UHFFFAOYSA-O`

📖 Product Overview

[9-(2-ethoxycarbonylphenyl)-6-(ethylamino)-2,7-dimethylxanthen-3-ylidene]-ethylazanium tetrafluoroborate (CAS: 54854-14-7) is a chemical compound with molecular formula C28H31BF4N2O3 and molecular weight 530.4 g/mol. Its IUPAC systematic name is [9-(2-ethoxycarbonylphenyl)-6-(ethylamino)-2,7-dimethylxanthen-3-ylidene]-ethylazanium tetrafluoroborate. Topological Polar Surface Area 61.5 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 9 Rotatable Bonds 7 Exact Mass 530.2364 Heavy Atoms 38 Complexity 842.0 InChI Key: ZWOFOSITRJRBCK-UHFFFAOYSA-O. SMILES: [B-](F)(F)(F)F.CCNC1=CC2=C(C=C1C)C(=C3C=C(C(=[NH+]CC)C=C3O2)C)C4=CC=CC=C4C(=O)OCC.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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📚 Academic Support

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Technical Blog Article

Multi-source research profile: chemical properties, regulatory status, and sourcing guide for [9-(2-ethoxycarbonylphenyl)-6-(ethylamino)-2,7-dimethylxanthen-3-ylidene]-ethylazanium tetrafluoroborate.

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