Chlorimine picryl sulfonate

1-(3-chloropropyl)aziridin-1-ium;2,4,6-trinitrobenzenesulfonate

CAS: 547-95-5

Molecular Formula	`C11H13ClN4O9S`
Molecular Weight	412.76 g/mol
Topological Polar Surface Area	207.0 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	9
Rotatable Bonds	3
Exact Mass	412.0092
Heavy Atoms	26
Complexity	509.0

Chemical Identifiers

CAS Number	547-95-5
SMILES	`C1C[NH+]1CCCCl.C1=C(C=C(C(=C1[N+](=O)[O-])S(=O)(=O)[O-])[N+](=O)[O-])[N+](=O)[O-]`
InChIKey	`CODNXQDQAPZBMO-UHFFFAOYSA-N`

📖 Product Overview

Chlorimine picryl sulfonate (CAS: 547-95-5) is a chemical compound with molecular formula C11H13ClN4O9S and molecular weight 412.76 g/mol. Its IUPAC systematic name is 1-(3-chloropropyl)aziridin-1-ium;2,4,6-trinitrobenzenesulfonate. Topological Polar Surface Area 207.0 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 9 Rotatable Bonds 3 Exact Mass 412.0092 Heavy Atoms 26 Complexity 509.0 InChI Key: CODNXQDQAPZBMO-UHFFFAOYSA-N. SMILES: C1C[NH+]1CCCCl.C1=C(C=C(C(=C1[N+](=O)[O-])S(=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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