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Chlorpyrifos-methyl - analytical standard, high purity , CAS No.5598-13-0
Basic Description
Synonyms
Chlorpyrifos-methyl 10 microg/mL in Cyclohexane | NCGC00163710-01 | 2083629-84-7 | Methylchlorpyrifos | AI3-27520 | Caswell No. 179AA | Chlorpyriphos-methyl [ISO-French] | Cooper graincote | NCGC00163710-04 | Chlorpyrifos-methyl | Chlorpyrifos-methyl, PES
Specifications & Purity
analytical standard
Shipped In
Normal
Grade
analytical standard
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Organic thiophosphoric acids and derivatives
Subclass
Thiophosphoric acid esters
Intermediate Tree Nodes
Not available
Direct Parent
Aryl thiophosphates
Alternative Parents
Thiophosphate triesters Polyhalopyridines 2-halopyridines Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aryl thiophosphate - Thiophosphate triester - Polyhalopyridine - 2-halopyridine - Aryl chloride - Aryl halide - Pyridine - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as aryl thiophosphates. These are organic compounds containing the thiophosphoric acid functional group or a derivative thereof, with the general structure ROP(OR')(OR'')=S, where at least one R-group is an aryl group.
External Descriptors
Organophosphorus insecticides
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)
Associated Targets(non-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
dimethoxy-sulfanylidene-(3,5,6-trichloropyridin-2-yl)oxy-λ5-phosphane
INCHI
InChI=1S/C7H7Cl3NO3PS/c1-12-15(16,13-2)14-7-5(9)3-4(8)6(10)11-7/h3H,1-2H3
InChIKey
HRBKVYFZANMGRE-UHFFFAOYSA-N
Smiles
COP(=S)(OC)OC1=NC(=C(C=C1Cl)Cl)Cl
Isomeric SMILES
COP(=S)(OC)OC1=NC(=C(C=C1Cl)Cl)Cl
WGK Germany
2
RTECS
TG0700000
UN Number
3077
Packing Group
III
Molecular Weight
322.53
Beilstein
1541078
Reaxy-Rn
1541078
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1541078&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
Hygroscopic,light sensitive
Flash Point(°F)
>100 °C
Flash Point(°C)
>100°C
Melt Point(°C)
45.5-46.5°C
Molecular Weight
322.500 g/mol
XLogP3
4.300
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
4
Exact Mass
320.895 Da
Monoisotopic Mass
320.895 Da
Topological Polar Surface Area
72.700 Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
278.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
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.
Pei-Rong Li, Yu Shi, Di Ju, Yu-Xi Liu, Wei Wang, Ying-Shi He, Yu-Yun Zhang, Xue-Qing Yang.
(2022)
Metabolic functional redundancy of the CYP9A subfamily members leads to P450-mediated lambda-cyhalothrin resistance in Cydia pomonella. PEST MANAGEMENT SCIENCE,
79
(4):
(1452-1466).
2.
Mei-jun Chen, Hai-lin Yang, Ya-min Si, Qian Tang, Cheuk-fai Chow, Cheng-bin Gong.
(2021)
A hollow visible-light-responsive surface molecularly imprinted polymer for the detection of chlorpyrifos in vegetables and fruits. FOOD CHEMISTRY,
355
(129656).
3.
Liang Ting, Gao Lei, Qin Dongli, Chen Ligang.
(2019)
Determination of Sulfonylurea Herbicides in Grain Samples by Matrix Solid-Phase Dispersion with Mesoporous Structured Molecularly Imprinted Polymer. Food Analytical Methods,
12
(9):
(1938-1948).
4.
Yonghui Nie, Yuanjie Teng, Pan Li, Wenhan Liu, Qianwei Shi, Yuchao Zhang.
(2018)
Label-free aptamer-based sensor for specific detection of malathion residues by surface-enhanced Raman scattering. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,
191
(271).
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4 Citations
G2209123