N-(2,4-Difluorophenyl)-2,4-dinitro-6-(trifluoromethyl)benzenamine structure

N-(2,4-Difluorophenyl)-2,4-dinitro-6-(trifluoromethyl)benzenamine

N-(2,4-difluorophenyl)-2,4-dinitro-6-(trifluoromethyl)aniline

Also Known As: AI3-29375|N-(2,4-Difluorophenyl)-2,4-dinitro-6-(trifluoromethyl)aniline|Benzenamine, N-(2,4-difluorophenyl)-2,4-dinitro-6-(trifluoromethyl)-|N-(2,4-Difluorophenyl)-2,4-dinitro-6-(trifluoromethyl)benzenamine

CAS: 57729-98-3
Molecular Formula C13H6F5N3O4
Molecular Weight 363.02783 g/mol
LogP 4.8
Topological Polar Surface Area 104.0 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 10
Rotatable Bonds 2
Exact Mass 363.02783
Monoisotopic Mass 363.02783
Heavy Atoms 25
Complexity 509.0

Chemical Identifiers

CAS Number 57729-98-3
SMILES C1=CC(=C(C=C1F)F)NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])C(F)(F)F
InChIKey KANFZLLPWYJEMP-UHFFFAOYSA-N

Patent-Derived Application Labels

Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.

Agrochemicals (7 patents) Organic Building Blocks (5 patents)

Product Overview

N-(2,4-Difluorophenyl)-2,4-dinitro-6-(trifluoromethyl)benzenamine (CAS 57729-98-3), with molecular formula C13H6F5N3O4 and molecular weight 363.02783 g/mol. IUPAC: N-(2,4-difluorophenyl)-2,4-dinitro-6-(trifluoromethyl)aniline.

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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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N-(2,4-Difluorophenyl)-2,4-dinitro-6-(trifluoromethyl)benzenamine is a custom synthesis product. We offer services from milligram to kilogram scale.

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