| Record Information |
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| Version | 1.0 |
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| Creation Date | 2014-08-29 06:51:46 UTC |
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| Update Date | 2016-11-09 01:09:09 UTC |
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| Accession Number | CHEM003508 |
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| Identification |
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| Common Name | Trifluralin |
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| Class | Small Molecule |
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| Description | Trifluralin is a commonly used pre-emergence soil-incorporated herbicide. With about 14 million pounds used in the United States in 2001, it is one of the most widely used herbicides. Trifluralin is generally applied to the soil to provide control of a variety of annual grass and broadleaf weed species. It inhibits root development by interrupting mitosis, and thus can control weeds as they germinate. Its mode of action is selective and inhibits mitosis and cell division. |
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| Contaminant Sources | - Clean Air Act Chemicals
- EPA Endocrine Screening
- HPV EPA Chemicals
- IARC Carcinogens Group 3
- My Exposome Chemicals
- STOFF IDENT Compounds
- T3DB toxins
- ToxCast & Tox21 Chemicals
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| Contaminant Type | - Amine
- Herbicide
- Household Toxin
- Organic Compound
- Organofluoride
- Pesticide
- Pollutant
- Synthetic Compound
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| Chemical Structure | |
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| Synonyms | | Value | Source |
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| 2,6-Dinitro-N,N-dipropyl-4-(trifluoromethyl)benzenamine | ChEBI | | alpha,alpha,alpha-Trifluoro-2,6-dinitro-N,N-dipropyl-p-toluidine | ChEBI | | 2,6-Dinitro-N,N-dipropyl-4-trifluoromethylaniline | Kegg | | a,a,a-Trifluoro-2,6-dinitro-N,N-dipropyl-p-toluidine | Generator | | Α,α,α-trifluoro-2,6-dinitro-N,N-dipropyl-p-toluidine | Generator | | Treflan | MeSH |
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| Chemical Formula | C13H16F3N3O4 |
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| Average Molecular Mass | 335.279 g/mol |
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| Monoisotopic Mass | 335.109 g/mol |
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| CAS Registry Number | 1582-09-8 |
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| IUPAC Name | 2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline |
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| Traditional Name | tristar |
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| SMILES | CCCN(CCC)C1=C(C=C(C=C1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O |
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| InChI Identifier | 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 |
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| InChI Key | ZSDSQXJSNMTJDA-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as dinitroanilines. These are organic compounds containing an aniline moiety, which is substituted at 2 positions by a nitro group. |
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| Kingdom | Organic compounds |
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| Super Class | Benzenoids |
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| Class | Benzene and substituted derivatives |
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| Sub Class | Aniline and substituted anilines |
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| Direct Parent | Dinitroanilines |
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| Alternative Parents | |
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| Substituents | - Dinitroaniline
- Trifluoromethylbenzene
- Nitrobenzene
- Nitroaromatic compound
- Tertiary aliphatic/aromatic amine
- Dialkylarylamine
- C-nitro compound
- Tertiary amine
- Organic nitro compound
- Organic oxoazanium
- Organic 1,3-dipolar compound
- Propargyl-type 1,3-dipolar organic compound
- Allyl-type 1,3-dipolar organic compound
- Alkyl fluoride
- Hydrocarbon derivative
- Organic oxide
- Organonitrogen compound
- Organofluoride
- Organopnictogen compound
- Organohalogen compound
- Organic oxygen compound
- Organic nitrogen compound
- Amine
- Alkyl halide
- Aromatic homomonocyclic compound
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| Molecular Framework | Aromatic homomonocyclic compounds |
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| External Descriptors | |
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| Biological Properties |
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| Status | Detected and Not Quantified |
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| Origin | Exogenous |
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| Cellular Locations | - Actin Filament
- Axoneme
- Cytoskeleton
- Endoplasmic reticulum
- Extracellular
- Golgi apparatus
- Membrane
- Microtubule
- Mitochondrion
- Nuclear Membrane
- Plasma Membrane
- Soluble Fraction
- Tubulin
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| Biofluid Locations | Not Available |
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| Tissue Locations | Not Available |
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| Pathways | | Name | SMPDB Link | KEGG Link |
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| Atrazine Degradation | Not Available | Not Available | | Antiviral Agents | Not Available | Not Available | | Cell cycle | Not Available | map04110 | | Metabolic Pathways | Not Available | Not Available |
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| Applications | Not Available |
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| Biological Roles | Not Available |
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| Chemical Roles | Not Available |
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| Physical Properties |
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| State | Solid |
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| Appearance | White powder. |
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| Experimental Properties | | Property | Value |
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| Melting Point | Not Available | | Boiling Point | Not Available | | Solubility | Not Available |
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| Predicted Properties | |
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| Spectra |
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| Spectra | | Spectrum Type | Description | Splash Key | View |
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| Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | splash10-0006-4495000000-81ecefe7acc38f41bdaa | Spectrum | | Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | Not Available | Spectrum | | LC-MS/MS | LC-MS/MS Spectrum - 15V, Positive | splash10-000i-0009000000-1a0dbd7e9d14b3c0201e | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-000i-1009000000-03893c173582856d32d0 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-01tc-3019000000-dad90b5f5376f3664485 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0006-9000000000-5a6bbbd1fd5a76548f1f | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-001i-0009000000-b8d26be90ed7d94c1b29 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-001i-0009000000-132594f08e5baf68c8e1 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0006-9065000000-be1fec204ac45ff3ed97 | Spectrum | | MS | Mass Spectrum (Electron Ionization) | splash10-052f-9553000000-7d3f6b0947d6139a59f3 | Spectrum | | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum | | 1D NMR | 13C NMR Spectrum | Not Available | Spectrum |
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| Toxicity Profile |
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| Route of Exposure | Not Available |
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| Mechanism of Toxicity | Not Available |
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| Metabolism | Not Available |
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| Toxicity Values | Not Available |
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| Lethal Dose | Not Available |
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| Carcinogenicity (IARC Classification) | 3, not classifiable as to its carcinogenicity to humans. (1) |
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| Uses/Sources | This is a man-made compound that is used as a pesticide. |
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| Minimum Risk Level | Not Available |
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| Health Effects | Not Available |
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| Symptoms | Not Available |
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| Treatment | Not Available |
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| Concentrations |
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| Not Available |
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| External Links |
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| DrugBank ID | Not Available |
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| HMDB ID | HMDB0259211 |
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| FooDB ID | Not Available |
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| Phenol Explorer ID | Not Available |
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| KNApSAcK ID | Not Available |
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| BiGG ID | Not Available |
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| BioCyc ID | Not Available |
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| METLIN ID | Not Available |
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| PDB ID | Not Available |
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| Wikipedia Link | Trifluralin |
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| Chemspider ID | 5368 |
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| ChEBI ID | 35027 |
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| PubChem Compound ID | Not Available |
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| Kegg Compound ID | C14343 |
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| YMDB ID | Not Available |
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| ECMDB ID | Not Available |
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| References |
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| Synthesis Reference | Not Available |
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| MSDS | Not Available |
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| General References | |
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