N,N-bis(2-chloroethyl)-4-methyl-2,6-dinitroaniline

CAS: 26389-78-6

Molecular Formula	`C11H13Cl2N3O4`
Molecular Weight	322.14 g/mol
LogP	4.2
Topological Polar Surface Area	94.9 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	5
Rotatable Bonds	5
Exact Mass	321.02832
Heavy Atoms	20
Complexity	318.0

Chemical Identifiers

CAS Number	26389-78-6
SMILES	`CC1=CC(=C(C(=C1)[N+](=O)[O-])N(CCCl)CCCl)[N+](=O)[O-]`
InChIKey	`XKUWFOYPQIVFMM-UHFFFAOYSA-N`

📖 Product Overview

N,N-bis(2-chloroethyl)-4-methyl-2,6-dinitroaniline (CAS: 26389-78-6) is a chemical compound with molecular formula C11H13Cl2N3O4 and molecular weight 322.14 g/mol. Its IUPAC systematic name is N,N-bis(2-chloroethyl)-4-methyl-2,6-dinitroaniline. LogP 4.2 Topological Polar Surface Area 94.9 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 5 Rotatable Bonds 5 Exact Mass 321.02832 Heavy Atoms 20 Complexity 318.0 InChI Key: XKUWFOYPQIVFMM-UHFFFAOYSA-N. SMILES: CC1=CC(=C(C(=C1)[N+](=O)[O-])N(CCCl)CCCl)[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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