Quinalphos solution - analytical standard, 100ug/ml in acetone , CAS No.13593-03-8

CAS: 13593-03-8 Cat. No.: Q109848 Formula: C₁₂H₁₅N₂O₃PS Molecular Weight: 298.3 Beilstein Registry Number: 754823 EC Number: 237-031-6 PubChem CID: 26124

GRADE & PURITY Analytical standard, 100ug/ml in acetone

Synonyms

O,O-Diaethyl-O-(chinoxalyl-(2))-monothiophosphat [German]|Savall|Ekalux|O,O-Diethyl-O-(2-quinoxalinyl) phosphorothioate|SAN-6538|O,O-Diethyl O-2-quinoxalinyl phosphorothioic acid ester|Quinaltaf|Sandoz 6538|Diethyl O-(2-quinoxalyl) phosphorothioate|QUINALPHOS [ISO]|O,O-diethyl O-quinoxalin-2-yl thiophosphate|BAY-77049|diethoxy-quinoxalin-2-yloxy-sulfanylidenephosphorane|Ekalux 25EC|o,o-Diethyl O-2-quinoxalinyl phosphorothioate|Diethquinalphion|O,O-Diethyl O-quinoxalin-2-yl phosphorothioate|Chinalphos|Diethyl O-2-quinoxalinyl phosphorothioate|Guinalphos|QUINALPHOS|Diethyl 2-Quinoxalyl phosphorothionate|Diethyl O-quinoxalin-2-yl thionophosphate|SAN 6538 I|Wie oben|Quinalphos [BSI:ISO]|SRA 7312|BAY 5821|O,O-Diethyl O-(2-quinoxalyl) phosphorothionate|O,O-Diethyl O-(quinoxalin-2-yl) thiophosphate|O,O-Diethyl-O-2-quinoxalyl-thiophosphate|Phosphorothioic acid, O,O-diethyl O-2-quinoxalinyl ester|O,O-Diaethyl-O-(chinoxalyl-(2))-monothiophosphat|O,O-Diethyl-O-(quinoxalinyl-(2))-thionophosphate|O,O-Diethyl O-(2-quinoxalinyl) thiophosphate #|Quinalphos 25 EC|Phosphorothioic acid, O,O-diethyl O-(2-quinoxalinyl) ester|Quinolphos|diethoxy-quinoxalin-2-yloxy-sulfanylidene-$l^{5}-phosphane|SAN 6538|Sandoz 6626|QUINALFOS|Diethyl O-(quinoxalin-2-yl) thiophosphate|OLEOEKALUX|O,O-DIETHYL-O-QUINOXAL-2-YL THIONOPHOSPHATE|Diethchinalphion|O,O-Diethyl-O-(2-quinoxalyl) phosphorothioate|BAY 77049|diethoxy-quinoxalin-2-yloxy-sulfanylidene-lambda5-phosphane|O,O-Diethyl O-(2-chinoxalyl)-phosphorothioate|Spencer S-6538|Bayrusil|o,o-diethyl o-(2-quinoxalyl)phosphorothionate|O,O-diethyl O-(quinoxalin-2-yl) phosphorothioate

Storage

Store at 2-8°C

Shipped In

Wet ice,FedEx DG Service

Specifications

Synonyms

O,O-Diaethyl-O-(chinoxalyl-(2))-monothiophosphat [German] | Savall | Ekalux | O,O-Diethyl-O-(2-quinoxalinyl) phosphorothioate | SAN-6538 | O,O-Diethyl O-2-quinoxalinyl phosphorothioic acid ester | Quinaltaf | Sandoz 6538 | Diethyl O-(2-quinoxalyl) phosphorothioate | QUINALPHOS [ISO] | O,O-diethyl O-quinoxalin-2-yl thiophosphate | BAY-7704 Show more

Specifications & Purity

analytical standard, 100ug/ml in acetone

Storage

Store at 2-8°C

Shipped In

Wet ice,FedEx DG Service

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Analytical standard

Names and Identifiers

Pubchem Sid

528770946

Canonical Smiles

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

Isomeric SMILES

CCOP(=S)(OCC)OC1=NC2=CC=CC=C2N=C1

WGK Germany

3

RTECS

TF6125000

PubChem CID

26124

UN Number

2810

Molecular Weight

298.3

Beilstein

754823

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Associated Targets(Human)

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

Associated Targets(non-human)

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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Light sensitive.
• Refractive Index: 1.5642
• Flash Point(°F): 100℃
• Flash Point(°C): 100℃
• Boil Point(°C): 142°C
• Melt Point(°C): 31-32°C
• Molecular Weight: 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