Trimethylcetylammonium pentachlorophenate

hexadecyl(trimethyl)azanium;2,3,4,5,6-pentachlorophenolate

CAS: 87-76-3

Molecular Formula	`C25H42Cl5NO`
Molecular Weight	549.9 g/mol
Topological Polar Surface Area	23.1 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	1
Rotatable Bonds	15
Exact Mass	549.16797
Heavy Atoms	32
Complexity	331.0

Chemical Identifiers

CAS Number	87-76-3
SMILES	`CCCCCCCCCCCCCCCC[N+](C)(C)C.C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)[O-]`
InChIKey	`FDODMJVLXHAZON-UHFFFAOYSA-M`

📖 Product Overview

Trimethylcetylammonium pentachlorophenate (CAS: 87-76-3) is a chemical compound with molecular formula C25H42Cl5NO and molecular weight 549.9 g/mol. Its IUPAC systematic name is hexadecyl(trimethyl)azanium;2,3,4,5,6-pentachlorophenolate. Topological Polar Surface Area 23.1 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 1 Rotatable Bonds 15 Exact Mass 549.16797 Heavy Atoms 32 Complexity 331.0 InChI Key: FDODMJVLXHAZON-UHFFFAOYSA-M. SMILES: CCCCCCCCCCCCCCCC[N+](C)(C)C.C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)[O-].

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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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