Basic information
- CAS
79241-46-6- Standard SMILES
CCCCOC(=O)[C@@H](C)Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1- InChIKey
VAIZTNZGPYBOGF-CYBMUJFWSA-N- Molecular formula
- C19H20F3NO4
- Average molar mass
- 383.4 g/mol
- Monoisotopic mass
- 383.13444278
Overview
Fluazifop-P-butyl is a butyl 2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate that has R configutation. The active enantiomer of the herbicide fluazifop-butyl, it is used as a post-emergence herbicide for the control grass weeds in various broad-leaved crops. It has a role as a herbicide, an agrochemical and an EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor. It is functionally related to a fluazifop-P. It is an enantiomer of a (S)-fluazifop-butyl.
Names & identifiers
- Preferred name
- Fluazifop-p-butyl
- IUPAC
- butyl (2R)-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate
- English name
- Fluazifop-P-butyl
- Molecular formula
- C19H20F3NO4
- Molecular weight
- 383.36
Names & synonyms
FLUAZIFOP-P-BUTYL79241-46-6Fusilade superFusilade IIFusilade 2000Fusilade SFusilade DXFusilade 5PP005 2E HerbicideFluazifop-P-butyl [ISO]Fluazifop-P butyl esterPP 005
Show more names
SuperFUSILADEWINNERPpooqpp005SL 263VENTUREORNAMECOncide-Pfusilade5
EPA Pesticide Chemical Code 122809N99K0AJ91SFUSILADE FORTEbutyl (2R)-2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoateButyl (R)-2-[4-(5-trifluoromethyl-2-pyridyloxy)phenoxy]propionateCHEBI:132964Butyl (R)-2-(4-(5-trifluoromethyl)-2-pyridyloxy)phenoxypropionate(+)-Fluazifop-butyl
Database identifiers
- CAS
79241-46-6- PubChem CID
- 3033674
- DTXSID
DTXSID0034855- ChEMBL
CHEMBL1864569- ChEBI
CHEBI:132964
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 57.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 453
Experimental & physicochemical properties
Pesticides
Environmental transformation -> Pesticides (parent, predecessor)
Pesticide (Fluazifop-P-butyl) -> USDA PDB
LogP4.5
Collision Cross Section
194.5 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID0034855]
194.8 Ų [M+H]+ [CCS Type: TW]
196.88 Ų [M+H]+
Physicochemical properties
- Melting point
- 5 °C · 5°C
- Boiling point
- 164 °C · 164°C (0.02 mm Hg)
- Density
- 1.21 · 1.21
- Flash point
- 50 °C · >50 °C
- storage temp.
- 0 · 0-6°C
- solubility
- 100 mg/mL · DMSO: 100 mg/mL (260.85 mM)
- form
- Liquid
- pka
- 0.78 · 0.78±0.22(Predicted)
- color
Safety & regulation
GHS classification
GHS Classification
Warning
H361d ***: Suspected of damaging the unborn child [Warning Reproductive toxicity]
P203, P273, P280, P318, P391, P405, and P501 (click each P-code to see the statement)
Warning
H226 (20.1%): Flammable liquid and vapor [Warning Flammable liquids]
P203, P210, P233, P240, P241, P242, P243, P261, P272, P273, P280, P302+P352, P303+P361+P353, P318, P321, P333+P317, P362+P364, P370+P378, P391, P403+P235, P405, and P501 (click each P-code to see the statement)
Hazard information
Regulatory Information
Regulation (EC) No 1107/2009 (amended)
Fluazifop-P-Butyl is listed in the dataset of EPA Human Health Benchmarks for Pesticides under the Safe Drinking Water Act (40 eCFR 141)
Fluazifop-P-butyl: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and Categories
Flam. Liq. 3 (20.1%)
Reproductive toxicity - category 2
Repr. 2
Toxicology
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
RAIS Toxicity Values
0.5
OPP
0.0051
OPP
EPA Human Health Benchmarks for Pesticides
Fluazifop-P-Butyl
0.5
3000
Children
0.0051
30
Safety data
Chemistry & industry
Uses & manufacturing
UsesThis is a man-made compound that is used as a pesticide.
Household ProductsInformation on 22 consumer products that contain Fluazifop-p-butyl in the following categories is provided:
Use ClassificationEnvironmental transformation -> Pesticides (parent, predecessor)
Applications
DescriptionFluazifop-P-butyl is a post-emergence herbicide used to control grass weeds in a range of cropping situations. It has a low aqueous solubility, miscible in many organic solvents and is not considered to be volatile. It is not expected to be persistent in either soil or water-sediment systems. It is unlikely to leach to groundwater. Toxicity to biodiversity is low to moderate. Fluazifop-P-butyl also has a low oral mammalian toxicity.
UsesFluazifop-P-butyl may be used as a reference standard for the determination of the analyte:In different varieties of lettuce (Lactuca sativum) by capillary gas chromatography with nitrogen–phosphorus detection (NPD).In tea samples by modified QuEChERS (quick, easy, cheap, effective, rugged, and safe) sample preparation procedure combined with ultra-performance liquid chromatography-electrospray tandem mass spectrometry (UPLC/MS/MS).', 'Refer to the productμs Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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