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Cymoxanil - analytical standard，98.5%, high purity , CAS No.57966-95-7

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Cymoxanil - analytical standard，98.5%, high purity , CAS No.57966-95-7

4 Citations

COA

Grade & Purity:

analytical standard

≥98.5%

Cas Number: 57966-95-7
Molecular Weight: 198.18
EC Number: 261-043-0
MDL number: MFCD00137381
PubChem CID: 5364079
PubChem SID: 504763727

In stock

Item Number

C110029

Grouped product items
SKU	Size	Availability	Price
C110029-100mg	100mg	3	$123.90
C110029-500mg	500mg	2	$500.90
C110029-1g	1g	1	$900.90

View related series

Anti-infection (2803) Fungal (844)

Basic Description

Synonyms	(1E)-2-(ethylcarbamoylamino)-N-methoxy-2-oxo-acetimidoyl cyanide \| Cymoxanil, certified reference material, TraceCERT(R) \| INT-3217-49 \| DTXSID6032358 \| alpha -pipecolin \| Cymoxanil [ISO] \| EINECS 261-043-0 \| Acetamide, 2-cyano-N-((ethylamino)carbonyl)-2-
Specifications & Purity	analytical standard, ≥98.5%
Shipped In	Normal
Grade	analytical standard

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic nitrogen compounds
  - Class Organonitrogen compounds
    - Subclass Oximes

Kingdom	Organic compounds
Superclass	Organic nitrogen compounds
Class	Organonitrogen compounds
Subclass	Oximes
Intermediate Tree Nodes	Not available
Direct Parent	Oxime ethers
Alternative Parents	Propargyl-type 1,3-dipolar organic compounds Nitriles Carboximidic acids and derivatives Organopnictogen compounds Organooxygen compounds Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Oxime ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Nitrile - Carbonitrile - Carboximidic acid derivative - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as oxime ethers. These are compounds containing the oxime ether functional group, with the general structure R1(R2)C=NOR3 ( R3 not H).
External Descriptors	Aliphatic nitrogen fungicides
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(non-human)

Botrytis cinerea (4183 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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	504763727
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504763727
IUPAC Name	(1E)-2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide
INCHI	InChI=1S/C7H10N4O3/c1-3-9-7(13)10-6(12)5(4-8)11-14-2/h3H2,1-2H3,(H2,9,10,12,13)/b11-5+
InChIKey	XERJKGMBORTKEO-VZUCSPMQSA-N
Smiles	CCNC(=O)NC(=O)C(=NOC)C#N
Isomeric SMILES	CCNC(=O)NC(=O)/C(=N/OC)/C#N
Molecular Weight	198.18
Reaxy-Rn	2214017
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2214017&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.

7 results found

Lot Number	Certificate Type	Date	Item
A2412217	Certificate of Analysis	Dec 20, 2023	C110029
A2412226	Certificate of Analysis	Dec 20, 2023	C110029
A2412216	Certificate of Analysis	Dec 20, 2023	C110029
A2412218	Certificate of Analysis	Dec 20, 2023	C110029
A2412219	Certificate of Analysis	Dec 20, 2023	C110029
A2412227	Certificate of Analysis	Dec 20, 2023	C110029
K1820073	Certificate of Analysis	Jul 11, 2022	C110029

Chemical and Physical Properties

Flash Point(°C)	100°C
Melt Point(°C)	160-161℃
Molecular Weight	198.180 g/mol
XLogP3	0.700
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	198.075 Da
Monoisotopic Mass	198.075 Da
Topological Polar Surface Area	104.000 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	301.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	1
Covalently-Bonded Unit Count	1

Citations of This Product

How to Cite Aladdin Scientific Products? Citations Search

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