Quinalphos - analytical standard, ≥99.5% , CAS No.13593-03-8

CAS: 13593-03-8 Cat. No.: Q109846 Summenformel: C₁₂H₁₅N₂O₃PS Molekulargewicht: 298.3 Beilstein Registry Number: 754823 EG-Nummer: 237-031-6 PubChem CID: 26124

GRADE & PURITY Analytical standard, ≥99.5%

Synonyms

InChI=1/C12H15N2O3PS/c1-3-15-18(19,16-4-2)17-12-9-13-10-7-5-6-8-11(10)14-12/h5-9H,3-4H2,1-2H3 | AC-12671 | CHEBI:8712 | NSC 190986 | JYQUHIFYBATCCY-UHFFFAOYSA-N | O,O-Diaethyl-O-(chinoxalyl-(2))-monothiophosphat [German] | NCGC00164298-01 | Savall | Ekalu

Storage

Protected from light,Room temperature,Desiccated

Shipped In

FedEx DG Service

Specifications

Synonyme

InChI=1/C12H15N2O3PS/c1-3-15-18(19,16-4-2)17-12-9-13-10-7-5-6-8-11(10)14-12/h5-9H,3-4H2,1-2H3 | AC-12671 | CHEBI:8712 | NSC 190986 | JYQUHIFYBATCCY-UHFFFAOYSA-N | O,O-Diaethyl-O-(chinoxalyl-(2))-monothiophosphat [German] | NCGC00164298-01 | Savall | Ekalu

Spezifikationen & Reinheit

analytical standard, ≥99.5%

Storage

Protected from light,Room temperature,Desiccated

Verschickt in

FedEx DG Service

Note

Analytischer Standard

Reinheit

≥99.5%

Namen und Kennungen

• Pubchem Sid: 508812979
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/508812979
• Kanonisches Lächeln: CCOP(=S)(OCC)OC1=NC2=CC=CC=C2N=C1
• IUPAC Name: diethoxy-quinoxalin-2-yloxy-sulfanylidene-λ5-phosphane
• InChIKey: JYQUHIFYBATCCY-UHFFFAOYSA-N
• INCHI: 1S/C12H15N2O3PS/c1-3-15-18(19,16-4-2)17-12-9-13-10-7-5-6-8-11(10)14-12/h5-9H,3-4H2,1-2H3
• Isomere SMILES: CCOP(=S)(OCC)OC1=NC2=CC=CC=C2N=C1
• WGK Deutschland: 3
• RTECS: TF6125000
• PubChem CID: 26124
• UN-Nummer: 2810
• Molekulargewicht: 298.3
• Beilstein: 754823

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Diazanaphthalenes
      • Subclass Benzodiazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Diazanaphthalenes
• Subclass: Benzodiazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinoxalines
• Alternative Parents: Aryl thiophosphates Thiophosphate triesters Pyrazines Benzenoids Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoxaline - Aryl thiophosphate - Thiophosphate triester - Thiophosphoric acid ester - Pyrazine - Organic thiophosphoric acid or derivatives - Benzenoid - Heteroaromatic compound - Azacycle - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as quinoxalines. These are compounds containing a quinoxaline moiety, a bicyclic heterocycle made up of a benzene ring fused to a pyrazine ring.
• 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

Zugehörige Ziele (menschlich)

RXRA Tclin Retinoid X receptor alpha (3637 Activities)

Discover Target: RXRA

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

AHR Tclin Aryl hydrocarbon receptor (1071 Activities)

Discover Target: AHR

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

Zugehörige Ziele (nicht menschlich)

Oryza sativa (2923 Activities)

Explore this target

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

Lepidoptera (26 Activities)

Explore this target

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Light sensitive.
• Brechungsindex: 1.5642
• Flammpunkt (°F): 100℃
• Flammpunkt (°C): 100℃
• Siedepunkt (°C): 142°C
• Schmelzpunkt (°C): 31-32°C
• Molekulargewicht: 298.300 g/mol
• XLogP3: 4.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 298.054 Da
• Monoisotopic Mass: 298.054 Da
• Topological Polar Surface Area: 85.600 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 322.000
• 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

Referenzen

1. Zhang Zhenxing, Meng Min, Wu Qiong, Kim Jeong-Han, Zhu Yongzhe.  (2023)  Biodegradation and metabolic pathway of quinalphos by Cunninghamella elegans ATCC36112.  BIOTECHNOLOGY LETTERS,  45  (7): (873-883).  [PMID:37195489] [10.1007/s10529-023-03393-9]

2. Wanqi Jiang, Zan Yang, Fei Tong, Siyu Zhang, Lu Zhu, Lei Wang, Lunjing Huang, Kang Liu, Mingming Zheng, Yibin Zhou, Ruyan Hou, Yingnan Liu.  (2023)  Two birds with one stone: An enzyme-regulated ratiometric fluorescent and photothermal dual-mode probe for organophosphorus pesticide detection.  BIOSENSORS & BIOELECTRONICS,      [PMID:36638562] [10.1016/j.bios.2023.115074]

3. Linfeng Chen, Xike Tian, Yong Li, Liqiang Lu, Yulun Nie, Yanxin Wang.  (2020)  Broad-spectrum pesticide screening by multiple cholinesterases and thiocholine sensors assembled high-throughput optical array system.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:33254811] [10.1016/j.jhazmat.2020.123830]

4. Hui Ouyang, Wenwen Wang, Qi Shu, Zhifeng Fu.  (2018)  Novel chemiluminescent immunochromatographic assay using a dual-readout signal probe for multiplexed detection of pesticide residues.  ANALYST,  143  (12): (2883-2888).  [PMID:29790876] [10.1039/C8AN00661J]

5. Qianqian Lu, Lingling Guo, Xinxin Xu, Hua Kuang, Liqiang Liu, Chuanlai Xu, Maozhong Sun.  (2025)  A multiplex fluorescent microsphere immunochromatography assay for simultaneous detection of phorate, fenthion, and profenofos.  FOOD CHEMISTRY,      [PMID:39808984] [10.1016/j.foodchem.2025.142850]

6. Zheng Wang, Hui Li, Chuang Jiang, Wenya Liu, Siyu Zhang, Yibin Zhou, Kang Liu, Yaqing Xiao, Ruyan Hou, Xiaochun Wan, Yingnan Liu.  (2024)  Mn-modified porphyrin metal–organic framework mediated colorimetric and photothermal dual-channel probe for sensitive detection of organophosphorus pesticides.  JOURNAL OF COLLOID AND INTERFACE SCIENCE,      [PMID:38335790] [10.1016/j.jcis.2024.02.062]

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥99.5% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What does analytical standard mean?

analytical standard is a defined analytical purity tier suitable for quantitative analytical methods. It specifies a minimum assay percentage, controlled limits on common impurities (water, heavy metals, residue on ignition), and lot-to-lot consistency. analytical standard is one of several purity tiers — choose based on the sensitivity and regulatory requirements of your method.

How should this product be stored?

Store at room temperature, protected from light, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

How is this product shipped?

This product is classified as dangerous goods and ships via FedEx DG Service. Ground and other economy services are not available, and delivery to some destinations or address types may be restricted.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 13593-03-8, the molecular formula is C12H15N2O3PS, and the molecular weight is 298.3 g/mol. InChIKey JYQUHIFYBATCCY-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.