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Fluazifop-P-butyl - analytical standard，98%, high purity , CAS No.79241-46-6
Basic Description
Synonyms
EN300-7482582 | Fluazifop-P-butyl 100 microg/mL in Acetonitrile | NCGC00163739-02 | PP005 2E Herbicide | Q-101459 | EPA Pesticide Chemical Code 122809 | Fluazifop-P-butyl, PESTANAL(R), analytical standard | DTXSID0034855 | Propanoic acid, 2-[4-[[5-(triflu
Specifications & Purity
analytical standard, ≥98%
Storage Temp
Protected from light
Shipped In
Normal
Grade
analytical standard
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
2-phenoxypropionic acid esters
Intermediate Tree Nodes
Not available
Direct Parent
2-phenoxypropionic acid esters
Alternative Parents
Phenoxyacetic acid derivatives Diarylethers Phenoxy compounds Phenol ethers Alkyl aryl ethers Pyridines and derivatives Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Monocarboxylic acids and derivatives Organic oxides Organofluorides Organonitrogen compounds Carbonyl compounds Organopnictogen compounds Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenoxypropionic acid ester - Diaryl ether - Phenoxyacetate - Phenoxy compound - Phenol ether - Alkyl aryl ether - Pyridine - Heteroaromatic compound - Carboxylic acid ester - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - Organooxygen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Carbonyl group - Alkyl halide - Alkyl fluoride - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 2-phenoxypropionic acid esters. These are aromatic compounds hat contain a phenol ether attached to the C2-atom of a phenylpropionic acid ester.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Associated Targets(Human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
butyl (2R)-2-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoate
INCHI
InChI=1S/C19H20F3NO4/c1-3-4-11-25-18(24)13(2)26-15-6-8-16(9-7-15)27-17-10-5-14(12-23-17)19(20,21)22/h5-10,12-13H,3-4,11H2,1-2H3/t13-/m1/s1
InChIKey
VAIZTNZGPYBOGF-CYBMUJFWSA-N
Smiles
CCCCOC(=O)C(C)OC1=CC=C(C=C1)OC2=NC=C(C=C2)C(F)(F)F
Isomeric SMILES
CCCCOC(=O)[C@@H](C)OC1=CC=C(C=C1)OC2=NC=C(C=C2)C(F)(F)F
WGK Germany
3
RTECS
UA2950000
UN Number
1993
Molecular Weight
383.36
Reaxy-Rn
1510062
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1510062&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
Light sensitive.
Flash Point(°F)
>50 °C
Flash Point(°C)
>50°C
Boil Point(°C)
164°C
Melt Point(°C)
5°C
Molecular Weight
383.400 g/mol
XLogP3
4.500
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
8
Rotatable Bond Count
9
Exact Mass
383.134 Da
Monoisotopic Mass
383.134 Da
Topological Polar Surface Area
57.700 Ų
Heavy Atom Count
27
Formal Charge
0
Complexity
453.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
1
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
Citations of This Product
1.
Xinyun Xu, Jiahao Wang, Ting Yu, Haohan Nian, Hui Zhang, Guangli Wang, Feng Li.
(2019)
Characterization of a novel aryloxyphenoxypropionate herbicide-hydrolyzing carboxylesterase with R-enantiomer preference from Brevundimonas sp. QPT-2. PROCESS BIOCHEMISTRY,
82
(102).
2.
Xiaoxiao Li, Yun Zhao, Shumao Ding, Huihui You, Weiyong Feng, Xu Yang, Junlin Yuan.
(2018)
Development of two enzyme-linked immunosorbent assay formats for thifluzamide residues’ analysis based on distinct polyclonal antibodies. FOOD AND AGRICULTURAL IMMUNOLOGY,
29
(1):
(267-280).
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2 Citations
A2416326