2-[4-[phenyl-[3-(trifluoromethyl)anilino]methylidene]azaniumylphenoxy]ethyl-di(propan-2-yl)azanium dibromide

CAS: 80785-18-8

Molecular Formula	`C28H34Br2F3N3O`
Molecular Weight	645.4 g/mol
Topological Polar Surface Area	39.7 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	6
Rotatable Bonds	10
Exact Mass	645.10004
Heavy Atoms	37
Complexity	630.0

Chemical Identifiers

CAS Number	80785-18-8
SMILES	`CC(C)[NH+](CCOC1=CC=C(C=C1)[NH+]=C(C2=CC=CC=C2)NC3=CC=CC(=C3)C(F)(F)F)C(C)C.[Br-].[Br-]`
InChIKey	`ZHODSMJMIBBDHE-UHFFFAOYSA-N`

📖 Product Overview

2-[4-[phenyl-[3-(trifluoromethyl)anilino]methylidene]azaniumylphenoxy]ethyl-di(propan-2-yl)azanium dibromide (CAS: 80785-18-8) is a chemical compound with molecular formula C28H34Br2F3N3O and molecular weight 645.4 g/mol. Its IUPAC systematic name is 2-[4-[phenyl-[3-(trifluoromethyl)anilino]methylidene]azaniumylphenoxy]ethyl-di(propan-2-yl)azanium dibromide. Topological Polar Surface Area 39.7 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 6 Rotatable Bonds 10 Exact Mass 645.10004 Heavy Atoms 37 Complexity 630.0 InChI Key: ZHODSMJMIBBDHE-UHFFFAOYSA-N. SMILES: CC(C)[NH+](CCOC1=CC=C(C=C1)[NH+]=C(C2=CC=CC=C2)NC3=CC=CC(=C3)C(F)(F)F)C(C)C.[Br-].[Br-].

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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 2-[4-[phenyl-[3-(trifluoromethyl)anilino]methylidene]azaniumylphenoxy]ethyl-di(propan-2-yl)azanium dibromide.

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