Mls000756325 structure

Mls000756325

N-[4-(2,4-dinitrophenoxy)phenyl]-2,4-dinitroaniline

Also Known As: N-[4-(2,4-dinitrophenoxy)phenyl]-2,4-dinitroaniline|2,4-Dinitro-4'-(2,4-Dinitrophenoxy)Diphenylamine

CAS: 6731-01-7
Molecular Formula C18H11N5O9
Molecular Weight 441.05566 g/mol
LogP 4.9
Topological Polar Surface Area 205.0 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 10
Rotatable Bonds 4
Exact Mass 441.05566
Monoisotopic Mass 441.05566
Heavy Atoms 32
Complexity 708.0

Chemical Identifiers

CAS Number 6731-01-7
SMILES C1=CC(=CC=C1NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])OC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]
InChIKey CMNWVSMJEYBPCQ-UHFFFAOYSA-N

Product Overview

Mls000756325 (CAS 6731-01-7), with molecular formula C18H11N5O9 and molecular weight 441.05566 g/mol. IUPAC: N-[4-(2,4-dinitrophenoxy)phenyl]-2,4-dinitroaniline.

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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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