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Isazophos - analytical standard, high purity , CAS No.42509-80-8

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Isazophos - analytical standard, high purity , CAS No.42509-80-8

1 Citations

COA

Grade & Purity:

analytical standard

Cas Number: 42509-80-8
Molecular Weight: 313.74
Beilstein Registry Number: 8145294
EC Number: 255-863-8
MDL number: MFCD00078699
PubChem CID: 39223

In stock

Item Number

I114712

Grouped product items
SKU	Size	Availability	Price	Qty
I114712-20mg	20mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$48.90
I114712-100mg	100mg	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$192.90

View related series

Parasite (997)

Basic Description

Synonyms	AI3-29128 \| Isazofos [BSI:ISO] \| O-(5-chloro-1-isopropyl-1H-1,2,4-triazol-3-yl) O,O-diethyl phosphorothioate \| SCHEMBL121685 \| XRHGWAGWAHHFLF-UHFFFAOYSA-N \| HSDB 6684 \| O-(5-Chloro-1-isopropyl-1H-1,2,4-triazol-3-yl) O,O-diethylphosphorothioate \| NCGC00168
Specifications & Purity	analytical standard
Shipped In	Normal
Grade	analytical standard

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Organic thiophosphoric acids and derivatives
    - Subclass Thiophosphoric acid esters

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 Aryl chlorides Triazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Aryl thiophosphate - Thiophosphate triester - Aryl chloride - Aryl halide - Azole - 1,2,4-triazole - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organopnictogen 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
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)

ESR1 Tclin Estrogen receptor alpha (17718 Activities)

Discover Target: ESR1

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

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	(5-chloro-1-propan-2-yl-1,2,4-triazol-3-yl)oxy-diethoxy-sulfanylidene-λ5-phosphane
INCHI	InChI=1S/C9H17ClN3O3PS/c1-5-14-17(18,15-6-2)16-9-11-8(10)13(12-9)7(3)4/h7H,5-6H2,1-4H3
InChIKey	XRHGWAGWAHHFLF-UHFFFAOYSA-N
Smiles	CCOP(=S)(OCC)OC1=NN(C(=N1)Cl)C(C)C
Isomeric SMILES	CCOP(=S)(OCC)OC1=NN(C(=N1)Cl)C(C)C
WGK Germany	3
RTECS	TE7760000
UN Number	3278
Molecular Weight	313.74
Beilstein	8145294
Reaxy-Rn	8145294
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8145294&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

3 results found

Lot Number	Certificate Type	Date	Item
H2416031	Certificate of Analysis	Aug 29, 2024	I114712
H2416176	Certificate of Analysis	Jun 22, 2024	I114712
L2103520	Certificate of Analysis	Sep 19, 2023	I114712

Chemical and Physical Properties

Boil Point(°C)	100°C
Molecular Weight	313.740 g/mol
XLogP3	3.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Exact Mass	313.042 Da
Monoisotopic Mass	313.042 Da
Topological Polar Surface Area	90.500 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	301.000
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

How to Cite Aladdin Scientific Products?

1. Huan Li, Hongyu Chen, Mingxia Li, Qiujun Lu, Youyu Zhang, Shouzhuo Yao. (2019) Template protection of gold nanoclusters for the detection of organophosphorus pesticides. NEW JOURNAL OF CHEMISTRY, 43 (14): (5423-5428).

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