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

CAS: 57966-95-7 Cat. No.: C110029 Formula: C₇H₁₀N₄O₃ Molecular Weight: 198.18 EC Number: 261-043-0

GRADE & PURITY Analytical standard, ≥98.5%

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-

Storage

Room temperature

Shipped In

Normal

Specifications

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%

Storage

Room temperature

Shipped In

Normal

Grade

Analytical standard

Purity

≥98.5%

Names and Identifiers

Pubchem Sid

504763727

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504763727

Canonical Smiles

CCNC(=O)NC(=O)C(=NOC)C#N

IUPAC Name

(1E)-2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide

InChIKey

XERJKGMBORTKEO-VZUCSPMQSA-N

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+

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=

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

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(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

Chemical and Physical Properties

• x_flash_point_drop_centigrade: 100°C
• x_melt_point_char: 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 Ų
• 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

Frequently Asked Questions

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What is the purity of this product?

This product is supplied at ≥98.5% 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.

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

The CAS Number is 57966-95-7, the molecular formula is C7H10N4O3, and the molecular weight is 198.18 g/mol. InChIKey XERJKGMBORTKEO-VZUCSPMQSA-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.