Products for Research Use Only

Trifluralin

CAT: 0013-GTR19202972-02Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19202972-02Size:200 mg
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Description
Trifluralin (Treflan) is a mildly toxic herbicide used as a model environmental pollutant in research. It is widely applied in studies investigating mitochondrial dysfunction, serving as a tool for in vitro and in vivo experiments on respiratory chain disruption.
CAS Number
1582-09-8
Product Name Alternative
Trifluralin, Treflan
Field of Research
Signal Transduction
Purity
99.84% (May vary between batches)
Solubility
DMSO:80 mg/mL (238.61 mM)
Smiles
O=[N+] ([O-]) C1=C (N (CCC) CCC) C ([N+] ([O-]) =O) =CC (C (F) (F) F) =C1
Molecular Formula
C13H16F3N3O4
Molecular Weight
335.28
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Trifluralin

Trifluralin is a substituted aniline that is N,N-dipropylaniline substituted by a nitro groups at positions 2 and 6 and a trifluoromethyl group at position 4. It is an agrochemical used as a pre-emergence herbicide. It has a role as a herbicide, an agrochemical, a xenobiotic and an environmental contaminant. It is a C-nitro compound, a substituted aniline and a member of (trifluoromethyl)benzenes.

CAS Number1582-09-8
PubChem CID5569
IUPAC Name2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline
Molecular FormulaC13H16F3N3O4
Molecular Weight335.28
XLogP5.3
Topological Polar Surface Area94.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count23
Formal Charge0
Complexity392
SMILES
CCCN(CCC)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]
InChI
InChI=1S/C13H16F3N3O4/c1-3-5-17(6-4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3
InChIKey
ZSDSQXJSNMTJDA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Trifluralin
CAS: 1582-09-8
CID: 5569
Formula: C13H16F3N3O4
MW: 335.28
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight335.28
XLogP35.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass335.10929049
Monoisotopic Mass335.10929049
Topological Polar Surface Area94.9 Ų
Heavy Atom Count23
Formal Charge0
Complexity392
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes