Tetrabromorhodamine 123

[6-amino-2,4,5,7-tetrabromo-9-(2-methoxycarbonylphenyl)xanthen-3-ylidene]azanium chloride

CAS: 208511-49-3

Molecular Formula	`C21H13Br4ClN2O3`
Molecular Weight	696.4 g/mol
Topological Polar Surface Area	87.1 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	3
Exact Mass	695.7307
Heavy Atoms	31
Complexity	822.0

Chemical Identifiers

CAS Number	208511-49-3
SMILES	`COC(=O)C1=CC=CC=C1C2=C3C=C(C(=[NH2+])C(=C3OC4=C(C(=C(C=C24)Br)N)Br)Br)Br.[Cl-]`
InChIKey	`GMCVSEFMPYGLOB-UHFFFAOYSA-N`

📖 Product Overview

Tetrabromorhodamine 123 (CAS: 208511-49-3) is a chemical compound with molecular formula C21H13Br4ClN2O3 and molecular weight 696.4 g/mol. Its IUPAC systematic name is [6-amino-2,4,5,7-tetrabromo-9-(2-methoxycarbonylphenyl)xanthen-3-ylidene]azanium chloride. Topological Polar Surface Area 87.1 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 5 Rotatable Bonds 3 Exact Mass 695.7307 Heavy Atoms 31 Complexity 822.0 InChI Key: GMCVSEFMPYGLOB-UHFFFAOYSA-N. SMILES: COC(=O)C1=CC=CC=C1C2=C3C=C(C(=[NH2+])C(=C3OC4=C(C(=C(C=C24)Br)N)Br)Br)Br.[Cl-].

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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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