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Benfluralin

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Identification
Molecular formula
C13H16F3N3O4
CAS number
1861-40-1
IUPAC name
N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline
State
State

At room temperature, Benfluralin is a solid. It is often found in crystalline form and can be handled in granular form for ease of use in industrial applications.

Melting point (Celsius)
52.00
Melting point (Kelvin)
325.15
Boiling point (Celsius)
320.00
Boiling point (Kelvin)
593.15
General information
Molecular weight
335.27g/mol
Molar mass
335.2730g/mol
Density
1.3780g/cm3
Appearence

Benfluralin typically appears as a yellow crystalline solid. It is not highly soluble in water, which is typical for many organofluorine compounds. The compound is sometimes found in a solid state as granules when used in industrial applications.

Comment on solubility

Solubility of N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline

The compound N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline (C13H16F3N3O4) exhibits interesting solubility characteristics.

Factors Influencing Solubility

  • Polarity: The presence of both organic (butyl and ethyl groups) and polar functional groups (dinitro and trifluoromethyl) suggests that this compound may show variable solubility in different solvents.
  • Hydrophobic and Hydrophilic Balance: The long carbon chains (butyl and ethyl) contribute to hydrophobic interactions, while the nitro and fluorine groups contribute to hydrophilic interactions, which can affect solubility in polar liquids.
  • Solvent Compatibility: This compound is likely to be more soluble in organic solvents such as acetone, ethanol, or dichloromethane rather than water, due to its extensive hydrocarbon framework.

General Solubility Behavior

Typically, compounds with a high degree of halogenation (in this case, trifluoromethyl) often exhibit __lower solubility in polar solvents__ due to the strong electronegativity of fluorine atoms, while they may dissolve readily in nonpolar or weakly polar solvents.

In conclusion, the solubility of N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline is influenced by a combination of its structural features and the solvent’s properties, leading to a general tendency toward solubility in nonpolar or less polar solvents. This variance reinforces the need for specific solubility testing when working with this compound in various chemical processes.

Interesting facts

Interesting Facts about N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline

N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline, commonly referred to within the scientific community as a specialized organic compound, has garnered attention for its unique properties and applications. Here are some fascinating insights into this compound:

  • Chemical Structure: This compound features a complex molecular structure that includes both nitro and trifluoromethyl substituents, which are known for enhancing the compound's reactivity and stability.
  • Applications: Due to its ability to act as a potent electrophile, this compound is often utilized in organic synthesis, particularly in the manufacture of agrochemicals and pharmaceuticals.
  • Research Interest: Scientists are particularly intrigued by the dinitro and trifluoromethyl groups, as they significantly influence the compound's electronic properties and lipophilicity, making it a subject of study in medicinal chemistry.
  • Toxicological Studies: The compound is also important in toxicological research. Its effects on biological systems provide insights into potential environmental and health impacts, especially concerning its nitro group, which could participate in reactive pathways in living organisms.
  • Fluorinated Compounds: The incorporation of trifluoromethyl groups is of particular interest, as fluorinated compounds often exhibit enhanced activity and selectivity, which is vital in drug design and agrochemical formulations.
  • Name Breakdown: The lengthy name of this compound reflects its detailed structural composition, showcasing the parent aniline matrix, alkyl substitutions, and functional groups, which is typical in chemical nomenclature.

Understanding such compounds can lead to significant advancements in various fields such as pharmaceutical science, environmental chemistry, and material sciences. As researchers continue to explore the implications of N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline, it is clear that this compound holds considerable potential for innovation.

Synonyms
benfluralin
1861-40-1
Bethrodine
Balan
BENEFIN
Benfluraline
Balfin
Banafine
Benephin
Carpidor
Flubalex
Benalan
Benefex
Binnell
Bonalan
Emblem
Quilan
N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline
Blulan
EL-110
N-Butyl-2,6-dinitro-N-ethyl-4-trifluoromethylaniline
Caswell No. 130
Benefin [WITHDRAWN]
Benfluralin [BSI:ISO]
N-Butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)benzenamine
Benfluralin [ISO]
Benfluraline [ISO-French]
HSDB 407
N-Butyl-N-ethyl-2,6-dinitro-4-trifluoromethylaniline
EINECS 217-465-2
EPA Pesticide Chemical Code 084301
UNII-28224BUY6R
BRN 2821329
CCRIS 9242
L 54521
DTXSID3023899
BENFLURALIN [MI]
BENFLURALIN [HSDB]
Benzenamine, N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)-
alpha,alpha,alpha-Trifluoro-2,6-dinitro-N,N-ethylbutyl-p-toluidine
N-Butyl-N-ethyl-alpha,alpha,alpha-trifluoro-2,6-dinitro-p-toluidine
DTXCID203899
N-Butyl N-ethyl-2,6-dinitro-4-(trifluoromethyl)benzeneamine
CHEBI:132878
28224BUY6R
p-Toluidine, N-butyl-N-ethyl-.alpha.,.alpha.,.alpha.-trifluoro-2,6-dinitro-
Benefin (WITHDRAWN)
p-Toluidine, N-butyl-N-ethyl-alpha,alpha,alpha-trifluoro-2,6-dinitro-
Benfluraline (ISO-French)
.alpha.,.alpha.,.alpha.-Trifluoro-2,6-dinitro-N,N-ethylbutyl-p-toluidine
CAS-1861-40-1
Benfluralin (Standard)
Spectrum_001829
SpecPlus_000430
Spectrum2_001883
Spectrum3_000825
Spectrum4_000665
Spectrum5_001962
SCHEMBL55008
BSPBio_002349
KBioGR_001069
KBioSS_002334
SPECTRUM330033
DivK1c_006526
SPBio_001786
CHEMBL1256668
HY-B2045R
KBio1_001470
KBio2_002331
KBio2_004899
KBio2_007467
KBio3_001849
EL110
HY-B2045
Tox21_202270
Tox21_300774
CCG-39421
AKOS015890700
USEPA/OPP Pesticide Code: 84301
NCGC00094527-01
NCGC00094527-02
NCGC00094527-03
NCGC00094527-04
NCGC00094527-05
NCGC00094527-06
NCGC00094527-07
NCGC00254678-01
NCGC00259819-01
AS-56321
DB-044582
CS-0014140
NButyl2,6dinitroNethyl4trifluoromethylaniline
NButylNethyl2,6dinitro4trifluoromethylaniline
NS00005161
A12179
Benfluralin, PESTANAL(R), analytical standard
C21273
Q421520
NButylNethyl2,6dinitro4(trifluoromethyl)benzenamine
BRD-K33903083-001-03-5
NButyl Nethyl2,6dinitro4(trifluoromethyl)benzeneamine
N-butyl-2,6-dinitro-N-ethyl-4-(trifluoromethyl)aniline
alpha,alpha,alphaTrifluoro2,6dinitroN,Nethylbutylptoluidine
N-n-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline
NButylNethylalpha,alpha,alphatrifluoro2,6dinitroptoluidine
N-BUTYL-N-ETHYL-2,6-DINITRO-4-(TRIFLUOROMETHYL) BENZENAMINE
N-Butyl-N-ethyl-.alpha.,.alpha.,.alpha.-trifluoro-2,6-dinitro-p-toluidine
N-butyl-N-ethyl-alpha,alpha,alpha-tri-fluoro-2,6-dinitro-p-toluidine
217-465-2