Benzenamine, 2,6-dinitro-N-propyl-4-(trifluoromethyl)-
Basic information
- CAS
2077-99-8- Standard SMILES
CCCNc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]- InChIKey
QXXIZJPWGJDHKR-UHFFFAOYSA-N- Molecular formula
- C10H10F3N3O4
- Average molar mass
- 293.2 g/mol
- Monoisotopic mass
- 293.06234029
Names & identifiers
- Preferred name
- Benzenamine, 2,6-dinitro-N-propyl-4-(trifluoromethyl)-
- IUPAC
- 2,6-dinitro-N-propyl-4-(trifluoromethyl)aniline
- English name
- 2,6-DINITRO-N-PROPYL-4-TRIFLUOROMETHYLBENZENAMINE
- Molecular formula
- C10H10F3N3O4
- Molecular weight
- 293.2
Names & synonyms
2077-99-8Benzenamine, 2,6-dinitro-N-propyl-4-(trifluoromethyl)-2,6-Dinitro-N-propyl-4-(trifluoromethyl)benzenamineDTXSID90174840RefChem:322770DTXCID90973312,6-dinitro-N-propyl-4-(trifluoromethyl)anilineSCHEMBL11574765QXXIZJPWGJDHKR-UHFFFAOYSA-NAKOS001033708(Dinitro-trifluoromethyl-phenyl)-propyl-amineNS00067843
Show more names
2,6-DINITRO-N-PROPYL-4-TRIFLUOROMETHYLBENZENAMINE
SR-01000025615SR-01000025615-12,6-dinitro-N-propyl-4-(trifluoro-methyl)benzenamineZ55324415
Database identifiers
- CAS
2077-99-8- PubChem CID
- 16379
- DTXSID
DTXSID90174840- Nikkaji
- J652.798A
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 342
Experimental & physicochemical properties
PesticidesEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
LogP3.65
Physicochemical properties
- Melting point
- 61 · 61-62 °C(Solv: methanol (67-56-1))
- Boiling point
- 336.2 · 336.2±42.0 °C(Predicted)
- Density
- 1.472 · 1.472±0.06 g/cm3(Predicted)
- pka
- -7.25 · -7.25±0.50(Predicted)
Chemistry & industry
Uses & manufacturing
Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
Applications
Uses2,6-Dinitro-N-propyl-4-(trifluoromethyl)aniline is a Trifluralin metabolite (T793550).
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Related reactions
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Compound notes
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