bis(2-chloroethyl)-[2-[ethyl(phenyl)azaniumyl]ethyl]azaniumbis(2,4,6-trinitrophenolate)

bis(2-chloroethyl)-[2-[ethyl(phenyl)azaniumyl]ethyl]azanium;bis(2,4,6-trinitrophenolate)

CAS: 101418-42-2

Molecular Formula	`C26H28Cl2N8O14`
Molecular Weight	747.4 g/mol
Topological Polar Surface Area	330.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	14
Rotatable Bonds	9
Exact Mass	746.1102
Heavy Atoms	50
Complexity	482.0

Chemical Identifiers

CAS Number	101418-42-2
SMILES	`CC[NH+](CC[NH+](CCCl)CCCl)C1=CC=CC=C1.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-].C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]`
InChIKey	`QSFSUQOIKIFATF-UHFFFAOYSA-N`

📖 Product Overview

bis(2-chloroethyl)-[2-[ethyl(phenyl)azaniumyl]ethyl]azaniumbis(2,4,6-trinitrophenolate) (CAS: 101418-42-2) is a chemical compound with molecular formula C26H28Cl2N8O14 and molecular weight 747.4 g/mol. Its IUPAC systematic name is bis(2-chloroethyl)-[2-[ethyl(phenyl)azaniumyl]ethyl]azanium;bis(2,4,6-trinitrophenolate). Topological Polar Surface Area 330.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 14 Rotatable Bonds 9 Exact Mass 746.1102 Heavy Atoms 50 Complexity 482.0 InChI Key: QSFSUQOIKIFATF-UHFFFAOYSA-N. SMILES: CC[NH+](CC[NH+](CCCl)CCCl)C1=CC=CC=C1.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-].C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[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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