N-(3-methylphenyl)-2,4-dinitroaniline

CAS: 964-79-4

Molecular Formula	`C13H11N3O4`
Molecular Weight	273.24 g/mol
LogP	4.1
Topological Polar Surface Area	104.0 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	2
Exact Mass	273.07495
Heavy Atoms	20
Complexity	366.0

Chemical Identifiers

CAS Number	964-79-4
SMILES	`CC1=CC(=CC=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]`
InChIKey	`PKFVVWUEBWQRKF-UHFFFAOYSA-N`

📖 Product Overview

N-(3-methylphenyl)-2,4-dinitroaniline (CAS: 964-79-4) is a chemical compound with molecular formula C13H11N3O4 and molecular weight 273.24 g/mol. Its IUPAC systematic name is N-(3-methylphenyl)-2,4-dinitroaniline. LogP 4.1 Topological Polar Surface Area 104.0 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 5 Rotatable Bonds 2 Exact Mass 273.07495 Heavy Atoms 20 Complexity 366.0 InChI Key: PKFVVWUEBWQRKF-UHFFFAOYSA-N. SMILES: CC1=CC(=CC=C1)NC2=C(C=C(C=C2)[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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