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Trifluralin-d14

CAT: 0804-HY-B2050SSize: 120 μg (286.23 μM x 1.2 mL in Nonane)Dry Ice: NoHazardous: No
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CAT#:0804-HY-B2050SSize:120 μg (286.23 μM x 1.2 mL in Nonane)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Trifluralin-d14 is the deuterium labeled Trifluralin. Trifluralin is a selective, preemergence, soil-applied herbicide providing control of many important annual grass and broadleaf weed species. Trifluralin prevents weed growth by inhibiting root development through the interruption of mitosis. Trifluralin binds to tubulin and results in the failure of spindle apparatus and cell plate formation. Trifluralin inhibits radicle development on roots. Trifluralin inhibits cell mitosis. Trifluralin is considered to be neurotoxic and haematotoxic[1][2][3][4].
CAS Number
347841-79-6
UNSPSC
12352005
Hazard Statement
H302, H317, H331, H351, H410
Target
Isotope-Labeled Compounds; Microtubule/Tubulin
Type
Isotope-Labeled Compounds
Related Pathways
Cell Cycle/DNA Damage; Cytoskeleton; Others
Field of Research
Others
Concentration
286.23 μM * 1.2 mL in Nonane
Purity
98.0
Solubility
10 mM in DMSO
Smiles
FC(C1=CC([N+]([O-])=O)=C(N(C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H])C([N+]([O-])=O)=C1)(F)F
Molecular Formula
C13H2D14F3N3O4
Molecular Weight
349.37
Precautions
H302, H317, H331, H351, H410
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53 (2) :211-216.|[2]Grover, R., et al., (1997) . Environmental fate of trifluralin. Reviews of environmental contamination and toxicology, 153, 1–64.|[3]C. Fernandes, et al., (2013) . Characterization, Modes of Action and Effects of Trifluralin: A Review. InTech.|[4]Ebert, E., et al., (1992) . Toxicology and hazard potential of trifluralin. Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association, 30 (12), 1031–1044.|[5]Poleksić, V., & Karan, V. (1999) . Effects of trifluralin on carp: biochemical and histological evaluation. Ecotoxicology and environmental safety, 43 (2), 213–221.
Shipping Conditions
Blue Ice
Storage Conditions
Solution, -20°C, 2 years
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

2,6-dinitro-N,N-bis[(1,1,2,2,3,3,3-2H7)propyl]-4-(trifluoromethyl)aniline
CAS Number347841-79-6
PubChem CID102602132
IUPAC NameN,N-bis(1,1,2,2,3,3,3-heptadeuteriopropyl)-2,6-dinitro-4-(trifluoromethyl)aniline
Molecular FormulaC13H16F3N3O4
Molecular Weight349.36
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
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])N(C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H]
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/i1D3,2D3,3D2,4D2,5D2,6D2
InChIKey
ZSDSQXJSNMTJDA-ZLKPZJALSA-N
Chemical Structure
2D Structure
2D structure of 2,6-dinitro-N,N-bis[(1,1,2,2,3,3,3-2H7)propyl]-4-(trifluoromethyl)aniline
CAS: 347841-79-6
CID: 102602132
Formula: C13H16F3N3O4
MW: 349.36
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight349.36
XLogP35.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass349.19716493
Monoisotopic Mass349.19716493
Topological Polar Surface Area94.9 Ų
Heavy Atom Count23
Formal Charge0
Complexity392
Isotope Atom Count14
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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