Chlorpyrifos-methyl solution - 1000ppm in acetone , CAS No.5598-13-0

CAS: 5598-13-0 Cat. No.: C293490 Peso molecular: 322.53 Beilstein Registry Number: 1541078 Número EC: 227-011-5

GRADE & PURITY 1000ppm in acetone

Synonyms

Chlorpyrifos-methyl|5598-13-0|Trichlormethylfos|Chloropyriphos-methyl|Methyl chlorpyrifos|Reldan|Methyl chlorpyriphos|Noltran|Zertell|Dursban methyl|Methyl dursban|CHLORPYRIFOS METHYL|Dowco 214|Phosphorothioic acid, O,O-dimethyl O-(3,5,6-trichloro-2-pyrid

Storage

Store at 2-8°C,Protected from light,Desiccated

Shipped In

Wet ice

Specifications

Sinónimos

Chlorpyrifos-methyl | 5598-13-0 | Trichlormethylfos | Chloropyriphos-methyl | Methyl chlorpyrifos | Reldan | Methyl chlorpyriphos | Noltran | Zertell | Dursban methyl | Methyl dursban | CHLORPYRIFOS METHYL | Dowco 214 | Phosphorothioic acid, O, O-dimethyl O-(3, 5, 6-trichloro-2-pyrid

Especificaciones y pureza

1000ppm in acetone

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light, Desiccated

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Nombres e identificadores

• Sonrisas canónicas: COP(=S)(OC)OC1=NC(=C(C=C1Cl)Cl)Cl
• IUPAC Name: dimethoxy-sulfanylidene-(3,5,6-trichloropyridin-2-yl)oxy-λ5-phosphane
• InChIKey: HRBKVYFZANMGRE-UHFFFAOYSA-N
• INCHI: 1S/C7H7Cl3NO3PS/c1-12-15(16,13-2)14-7-5(9)3-4(8)6(10)11-7/h3H,1-2H3
• Isómeros SMILES: COP(=S)(OC)OC1=NC(=C(C=C1Cl)Cl)Cl
• WGK Alemania: 2
• RTECS: TG0700000
• Número ONU: 3077
• Grupo de embalaje: III
• Peso molecular: 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=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Organic thiophosphoric acids and derivatives
      • Subclass Thiophosphoric acid esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: 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
• Descripción: 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.

DOI: 10.1186/s13321-016-0174-y

Objetivos asociados (humanos)

AR Tclin Androgen Receptor (11781 Activities)

Discover Target: AR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

VDR Tclin Vitamin D receptor (26531 Activities)

Discover Target: VDR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)

Discover Target: PPARG

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MEN1 Tchem Menin/Histone-lysine N-methyltransferase MLL (48157 Activities)

Discover Target: MEN1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Objetivos asociados (no humanos)

Ppard Peroxisome proliferator-activated receptor delta (358 Activities)

Discover Target: Ppard

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Plutella xylostella (1838 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GCN5 Histone acetyltransferase GCN5 (89 Activities)

Discover Target: GCN5

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ffp 4'-phosphopantetheinyl transferase ffp (24982 Activities)

Discover Target: ffp

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Ascia monuste (100 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Light sensitive.
• Punto de inflamación (°F): >212 ℉
• Punto de inflamación (°C): >100°C
• Punto de fusión (°C): 45.5-46.5°C
• Peso molecular: 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

Referencias

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).  [PMID:36519662] [10.1002/ps.7317]

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,      [PMID:33813158] [10.1016/j.foodchem.2021.129656]

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).  [PMID:] [10.1007/s12161-019-01539-y]

4. Yonghui Nie, Yuanjie Teng, Pan Li, Wenhan Liu, Qianwei Shi, Yuchao Zhang.  (2017)  Label-free aptamer-based sensor for specific detection of malathion residues by surface-enhanced Raman scattering.  SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,      [PMID:29045930] [10.1016/j.saa.2017.10.030]

5. Le-Yu Huang, Huiling Wang, Yue-Yang Zhang, Shi-Yu Liu.  (2025)  An acylaminoacyl-peptide hydrolase-activated fluorescent probe for ultrasensitive detection of pesticide residue.  SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,      [PMID:40188572] [10.1016/j.saa.2025.126152]

6. Yang Xiaoying, Liu Qian, Luo Longhui, Tian Wei, Kang Chao, Yang Wanliang, Li Tianxiang, Chen Dongmei, Yan Xiufang.  (2025)  Construction of a silver nanoparticle SERS aptamer-based sensor and its specific recognition of diazinon.  ANALYTICAL AND BIOANALYTICAL CHEMISTRY,      [PMID:40536668] [10.1007/s00216-025-05956-3]